data_CaAs2WO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.62
_cell_length_b   8.3
_cell_length_c   11.48
_cell_angle_alpha   90.0
_cell_angle_beta   125.82
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaAs2WO7
_chemical_formula_sum   'Ca4 As8 W4 O28'
_cell_volume   743.02
_cell_formula_units_Z   4
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  0.79  0.69  0.19  1.0
  Ca  Ca1  1  0.75  0.55  0.77  1.0
  Ca  Ca2  1  0.11  0.6  0.12  1.0
  Ca  Ca3  1  0.15  0.75  0.54  1.0
  As  As4  1  0.11  0.21  0.32  1.0
  As  As5  1  0.42  0.35  0.64  1.0
  As  As6  1  0.78  0.09  0.99  1.0
  As  As7  1  0.48  0.94  0.67  1.0
  As  As8  1  0.1  0.28  0.1  1.0
  As  As9  1  0.44  0.43  0.86  1.0
  As  As10  1  0.8  0.01  0.21  1.0
  As  As11  1  0.46  0.86  0.45  1.0
  W  W12  1  0.25  0.42  0.55  1.0
  W  W13  1  0.29  0.56  0.41  1.0
  W  W14  1  0.65  0.88  0.76  1.0
  W  W15  1  0.61  0.73  0.9  1.0
  O  O16  1  0.97  0.75  0.44  1.0
  O  O17  1  0.29  0.9  0.21  1.0
  O  O18  1  0.93  0.55  0.87  1.0
  O  O19  1  0.61  0.4  0.1  1.0
  O  O20  1  0.37  0.06  0.58  1.0
  O  O21  1  0.17  0.2  0.39  1.0
  O  O22  1  0.53  0.24  0.73  1.0
  O  O23  1  0.73  0.09  0.93  1.0
  O  O24  1  0.66  0.75  0.16  1.0
  O  O25  1  0.88  0.9  0.8  1.0
  O  O26  1  0.24  0.55  0.15  1.0
  O  O27  1  0.02  0.4  0.51  1.0
  O  O28  1  0.89  0.7  0.54  1.0
  O  O29  1  0.65  0.84  0.43  1.0
  O  O30  1  0.01  0.6  0.77  1.0
  O  O31  1  0.25  0.45  0.88  1.0
  O  O32  1  0.94  0.74  0.12  1.0
  O  O33  1  0.32  0.89  0.54  1.0
  O  O34  1  0.96  0.55  0.19  1.0
  O  O35  1  0.58  0.4  0.77  1.0
  O  O36  1  0.39  0.53  0.53  1.0
  O  O37  1  0.87  0.68  0.13  1.0
  O  O38  1  0.51  0.76  0.78  1.0
  O  O39  1  0.03  0.61  0.18  1.0
  O  O40  1  0.07  0.42  0.52  1.0
  O  O41  1  0.18  0.57  0.14  1.0
  O  O42  1  0.82  0.87  0.79  1.0
  O  O43  1  0.71  0.73  0.18  1.0

data_CaAs2WO7
_symmetry_space_group_name_H-M   P-1
_cell_length_a   8.3
_cell_length_b   9.62
_cell_length_c   9.75
_cell_angle_alpha   107.29
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   CaAs2WO7
_chemical_formula_sum   'Ca4 As8 W4 O28'
_cell_volume   743.02
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  2  0.4  0.82  0.62  1.0
  Ca  Ca1  2  0.45  0.8  0.96  1.0
  As  As2  2  0.06  0.0  0.17  1.0
  As  As3  2  0.14  0.79  0.95  1.0
  As  As4  2  0.21  0.01  0.49  1.0
  As  As5  2  0.28  0.22  0.71  1.0
  W  W6  2  0.27  0.1  0.4  1.0
  W  W7  2  0.42  0.92  0.26  1.0
  O  O8  2  0.06  0.01  0.23  1.0
  O  O9  2  0.09  1.0  0.57  1.0
  O  O10  2  0.25  0.28  0.94  1.0
  O  O11  2  0.25  0.28  0.35  1.0
  O  O12  2  0.26  0.98  0.62  1.0
  O  O13  2  0.27  0.24  0.36  1.0
  O  O14  2  0.3  0.43  0.73  1.0
  O  O15  2  0.39  0.93  0.37  1.0
  O  O16  2  0.4  0.74  0.71  1.0
  O  O17  2  0.4  0.7  0.99  1.0
  O  O18  2  0.4  0.03  0.04  1.0
  O  O19  2  0.42  0.75  0.98  1.0
  O  O20  2  0.45  0.56  0.62  1.0
  O  O21  2  0.47  0.95  0.03  1.0

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