data_CaBiAsO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.1
_cell_length_b   7.35
_cell_length_c   9.44
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaBiAsO5
_chemical_formula_sum   'Ca4 Bi4 As4 O20'
_cell_volume   492.02
_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  0.03  0.07  0.22  1.0
  Ca  Ca1  1  0.51  0.27  0.51  1.0
  Ca  Ca2  1  0.06  0.4  0.93  1.0
  Ca  Ca3  1  0.58  0.94  0.21  1.0
  Bi  Bi4  1  0.87  0.31  0.32  1.0
  Bi  Bi5  1  0.68  0.04  0.6  1.0
  Bi  Bi6  1  0.23  0.64  0.84  1.0
  Bi  Bi7  1  0.42  0.71  0.12  1.0
  As  As8  1  0.19  0.04  0.82  1.0
  As  As9  1  0.36  0.31  0.1  1.0
  As  As10  1  0.91  0.71  0.34  1.0
  As  As11  1  0.74  0.64  0.62  1.0
  O  O12  1  0.36  0.02  0.92  1.0
  O  O13  1  0.19  0.32  0.2  1.0
  O  O14  1  0.74  0.35  0.23  1.0
  O  O15  1  0.91  0.99  0.52  1.0
  O  O16  1  0.44  0.22  0.81  1.0
  O  O17  1  0.11  0.12  0.09  1.0
  O  O18  1  0.66  0.9  0.35  1.0
  O  O19  1  0.99  0.45  0.63  1.0
  O  O20  1  0.77  0.31  0.23  1.0
  O  O21  1  0.88  0.04  0.51  1.0
  O  O22  1  0.33  0.98  0.93  1.0
  O  O23  1  0.22  0.36  0.21  1.0
  O  O24  1  0.06  0.74  0.54  1.0
  O  O25  1  0.49  0.6  0.83  1.0
  O  O26  1  0.04  0.42  0.61  1.0
  O  O27  1  0.61  0.93  0.89  1.0
  O  O28  1  0.1  0.41  0.21  1.0
  O  O29  1  0.44  0.94  0.5  1.0
  O  O30  1  0.99  0.74  0.94  1.0
  O  O31  1  0.65  0.61  0.22  1.0

data_CaBiAsO5
_symmetry_space_group_name_H-M   P1
_cell_length_a   7.1
_cell_length_b   7.35
_cell_length_c   9.44
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaBiAsO5
_chemical_formula_sum   'Ca4 Bi4 As4 O20'
_cell_volume   492.02
_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  0.03  0.07  0.22  1.0
  Ca  Ca1  1  0.06  0.4  0.93  1.0
  Ca  Ca2  1  0.51  0.27  0.51  1.0
  Ca  Ca3  1  0.58  0.94  0.21  1.0
  Bi  Bi4  1  0.23  0.64  0.84  1.0
  Bi  Bi5  1  0.42  0.71  0.12  1.0
  Bi  Bi6  1  0.68  0.04  0.6  1.0
  Bi  Bi7  1  0.87  0.31  0.32  1.0
  As  As8  1  0.19  0.04  0.82  1.0
  As  As9  1  0.36  0.31  0.1  1.0
  As  As10  1  0.74  0.64  0.62  1.0
  As  As11  1  0.91  0.71  0.34  1.0
  O  O12  1  0.04  0.42  0.61  1.0
  O  O13  1  0.06  0.74  0.54  1.0
  O  O14  1  0.1  0.41  0.21  1.0
  O  O15  1  0.11  0.12  0.09  1.0
  O  O16  1  0.19  0.32  0.2  1.0
  O  O17  1  0.22  0.36  0.21  1.0
  O  O18  1  0.33  0.98  0.93  1.0
  O  O19  1  0.36  0.02  0.92  1.0
  O  O20  1  0.44  0.22  0.81  1.0
  O  O21  1  0.44  0.94  0.5  1.0
  O  O22  1  0.49  0.6  0.83  1.0
  O  O23  1  0.61  0.93  0.89  1.0
  O  O24  1  0.65  0.61  0.22  1.0
  O  O25  1  0.66  0.9  0.35  1.0
  O  O26  1  0.74  0.35  0.23  1.0
  O  O27  1  0.77  0.31  0.23  1.0
  O  O28  1  0.88  0.04  0.51  1.0
  O  O29  1  0.91  0.99  0.52  1.0
  O  O30  1  0.99  0.45  0.63  1.0
  O  O31  1  0.99  0.74  0.94  1.0

Ca Ca Ca Ca Bi Bi Bi Bi As As As As O O O O O O O O O O O O O O O O O O O O