data_Ca3Cr3(AsO4)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.34
_cell_length_b   5.23
_cell_length_c   17.36
_cell_angle_alpha   90.0
_cell_angle_beta   116.79
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca3Cr3(AsO4)4
_chemical_formula_sum   'Ca6 Cr6 As8 O32'
_cell_volume   756.99
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Ca  Ca0  1  0.67  0.44  0.62  1.0
  Ca  Ca1  1  0.76  0.06  0.12  1.0
  Ca  Ca2  1  0.85  0.79  0.87  1.0
  Ca  Ca3  1  0.76  0.17  0.37  1.0
  Ca  Ca4  1  0.09  0.61  0.75  1.0
  Ca  Ca5  1  0.0  0.0  0.0  1.0
  Cr  Cr6  1  0.56  0.73  0.6  1.0
  Cr  Cr7  1  0.96  0.5  0.9  1.0
  Cr  Cr8  1  0.05  0.12  0.64  1.0
  Cr  Cr9  1  0.47  0.11  0.85  1.0
  Cr  Cr10  1  0.76  0.0  0.75  1.0
  Cr  Cr11  1  0.67  0.61  0.0  1.0
  As  As12  1  0.29  0.19  0.29  1.0
  As  As13  1  0.12  0.65  0.25  1.0
  As  As14  1  0.31  0.04  0.5  1.0
  As  As15  1  0.21  0.19  0.99  1.0
  As  As16  1  0.23  0.04  0.2  1.0
  As  As17  1  0.4  0.57  0.25  1.0
  As  As18  1  0.37  0.65  0.04  1.0
  As  As19  1  0.15  0.58  0.45  1.0
  O  O20  1  0.71  0.91  0.07  1.0
  O  O21  1  0.31  0.31  0.13  1.0
  O  O22  1  0.83  0.19  0.82  1.0
  O  O23  1  0.83  0.07  0.33  1.0
  O  O24  1  0.69  0.04  0.68  1.0
  O  O25  1  0.8  0.93  0.81  1.0
  O  O26  1  0.6  0.58  0.93  1.0
  O  O27  1  0.62  0.58  0.88  1.0
  O  O28  1  0.34  0.75  0.02  1.0
  O  O29  1  0.81  0.31  0.43  1.0
  O  O30  1  0.92  0.77  0.08  1.0
  O  O31  1  0.9  0.64  0.61  1.0
  O  O32  1  0.68  0.63  0.49  1.0
  O  O33  1  0.18  0.48  0.48  1.0
  O  O34  1  0.34  0.75  0.95  1.0
  O  O35  1  0.26  0.36  0.29  1.0
  O  O36  1  0.75  0.02  0.26  1.0
  O  O37  1  0.92  0.65  0.56  1.0
  O  O38  1  0.27  0.36  0.22  1.0
  O  O39  1  0.99  0.2  0.36  1.0
  O  O40  1  0.26  0.87  0.21  1.0
  O  O41  1  0.18  0.48  0.54  1.0
  O  O42  1  0.21  0.92  0.37  1.0
  O  O43  1  0.12  0.92  0.62  1.0
  O  O44  1  0.84  0.59  0.01  1.0
  O  O45  1  0.72  0.3  0.68  1.0
  O  O46  1  0.69  0.16  0.16  1.0
  O  O47  1  0.25  0.87  0.27  1.0
  O  O48  1  0.4  0.31  0.87  1.0
  O  O49  1  0.53  0.03  0.14  1.0
  O  O50  1  0.77  0.21  0.24  1.0
  O  O51  1  0.6  0.46  0.41  1.0

data_Ca3Cr3(AsO4)4
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.23
_cell_length_b   9.34
_cell_length_c   15.57
_cell_angle_alpha   95.6
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca3Cr3(AsO4)4
_chemical_formula_sum   'Ca6 Cr6 As8 O32'
_cell_volume   756.99
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Ca  Ca0  1  0.0  0.0  0.0  1.0
  Ca  Ca1  1  0.06  0.36  0.12  1.0
  Ca  Ca2  1  0.17  0.61  0.37  1.0
  Ca  Ca3  1  0.44  0.95  0.62  1.0
  Ca  Ca4  1  0.61  0.66  0.75  1.0
  Ca  Ca5  1  0.79  0.02  0.87  1.0
  Cr  Cr6  1  0.0  0.99  0.75  1.0
  Cr  Cr7  1  0.11  0.38  0.85  1.0
  Cr  Cr8  1  0.12  0.59  0.64  1.0
  Cr  Cr9  1  0.5  0.94  0.9  1.0
  Cr  Cr10  1  0.61  0.33  -0.0  1.0
  Cr  Cr11  1  0.73  0.04  0.6  1.0
  As  As12  1  0.04  0.97  0.2  1.0
  As  As13  1  0.04  0.19  0.5  1.0
  As  As14  1  0.19  0.78  0.99  1.0
  As  As15  1  0.19  0.01  0.29  1.0
  As  As16  1  0.57  0.85  0.25  1.0
  As  As17  1  0.58  0.31  0.45  1.0
  As  As18  1  0.65  0.66  0.04  1.0
  As  As19  1  0.65  0.12  0.25  1.0
  O  O20  1  0.02  0.5  0.26  1.0
  O  O21  1  0.03  0.61  0.14  1.0
  O  O22  1  0.04  0.99  0.68  1.0
  O  O23  1  0.07  0.51  0.33  1.0
  O  O24  1  0.16  0.47  0.16  1.0
  O  O25  1  0.19  0.99  0.82  1.0
  O  O26  1  0.2  0.37  0.36  1.0
  O  O27  1  0.21  0.47  0.24  1.0
  O  O28  1  0.3  0.96  0.68  1.0
  O  O29  1  0.31  0.47  0.87  1.0
  O  O30  1  0.31  0.81  0.13  1.0
  O  O31  1  0.31  0.62  0.43  1.0
  O  O32  1  0.36  0.02  0.29  1.0
  O  O33  1  0.36  0.95  0.22  1.0
  O  O34  1  0.46  0.81  0.41  1.0
  O  O35  1  0.48  0.29  0.48  1.0
  O  O36  1  0.48  0.37  0.54  1.0
  O  O37  1  0.58  0.33  0.93  1.0
  O  O38  1  0.58  0.27  0.88  1.0
  O  O39  1  0.59  0.16  0.01  1.0
  O  O40  1  0.63  0.81  0.49  1.0
  O  O41  1  0.64  0.71  0.61  1.0
  O  O42  1  0.65  0.65  0.56  1.0
  O  O43  1  0.75  0.61  0.95  1.0
  O  O44  1  0.75  0.68  0.02  1.0
  O  O45  1  0.77  0.16  0.08  1.0
  O  O46  1  0.87  0.02  0.27  1.0
  O  O47  1  0.87  0.95  0.21  1.0
  O  O48  1  0.91  0.36  0.07  1.0
  O  O49  1  0.92  0.16  0.37  1.0
  O  O50  1  0.92  0.5  0.62  1.0
  O  O51  1  0.93  0.01  0.81  1.0

Ca Ca Ca Ca Ca Ca Cr Cr Cr Cr Cr Cr As As As As As As As As O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O
Ca Ca Ca Ca Ca Ca Cr Cr Cr Cr Cr Cr As As As As As As As As O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O 0 45 o o o 0 6 o o o 1 20 o - o 1 46 o o o 2 25 o o o 2 5 + + + 2 7 o o o 3 23 o o o 3 29 o o o 4 31 - o o 5 44 - - o 5 30 - - o 5 15 o o - 6 24 o + o 6 14 o + o 7 22 o o o 7 15 + o o 8 43 o - o 9 48 o o o 10 24 o o o 10 25 o - o 10 22 o o o 11 26 o o - 11 44 o o o 12 35 o o o 12 42 o - o 13 47 o o o 13 42 o o o 14 42 o - o 14 19 o - o 14 41 o o o 14 33 o o o 15 28 o - + 15 21 o o + 16 40 o - o 16 21 o o o 17 38 o o o 17 21 o o o 18 28 o o o 19 33 o o o 21 38 o o o 21 49 o o o 22 25 o - o 23 36 o o o 23 39 o o o 26 27 o o o 28 34 o o - 30 44 o o o 31 37 o o o 32 51 o o o 33 41 o o o 35 38 o o o 36 50 o o o 39 42 + - o 40 47 o o o 42 47 o o o 46 50 o o o 46 49 o o o 