data_BiAsO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.84
_cell_length_b   7.29
_cell_length_c   8.39
_cell_angle_alpha   90.0
_cell_angle_beta   126.5
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BiAsO4
_chemical_formula_sum   'Bi4 As4 O16'
_cell_volume   336.02
_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
  Bi  Bi0  1  0.37  0.61  0.47  1.0
  Bi  Bi1  1  0.97  0.97  0.9  1.0
  Bi  Bi2  1  0.47  0.67  0.27  1.0
  Bi  Bi3  1  0.87  0.32  0.85  1.0
  As  As4  1  0.12  0.83  0.36  1.0
  As  As5  1  0.22  0.18  0.01  1.0
  As  As6  1  0.72  0.46  0.38  1.0
  As  As7  1  0.63  0.1  0.73  1.0
  O  O8  1  0.23  0.15  0.64  1.0
  O  O9  1  0.11  0.51  0.73  1.0
  O  O10  1  0.61  0.13  0.1  1.0
  O  O11  1  0.74  0.78  0.01  1.0
  O  O12  1  0.34  0.38  0.18  1.0
  O  O13  1  1.0  0.74  0.19  1.0
  O  O14  1  0.5  0.9  0.56  1.0
  O  O15  1  0.85  0.55  0.55  1.0
  O  O16  1  0.41  0.28  0.97  1.0
  O  O17  1  0.94  0.63  0.14  1.0
  O  O18  1  0.43  0.01  0.77  1.0
  O  O19  1  0.91  0.65  0.6  1.0
  O  O20  1  0.85  0.69  0.11  1.0
  O  O21  1  0.5  0.05  0.0  1.0
  O  O22  1  1.0  0.6  0.63  1.0
  O  O23  1  0.34  0.24  0.74  1.0

data_BiAsO4
_symmetry_space_group_name_H-M   P-1
_cell_length_a   6.84
_cell_length_b   6.99
_cell_length_c   7.29
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   105.3
_symmetry_Int_Tables_number   2
_chemical_formula_structural   BiAsO4
_chemical_formula_sum   'Bi4 As4 O16'
_cell_volume   336.02
_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
  Bi  Bi0  2  0.35  0.9  0.53  1.0
  Bi  Bi1  2  0.48  0.53  0.83  1.0
  As  As2  2  0.21  0.01  0.32  1.0
  As  As3  2  0.35  0.64  0.04  1.0
  O  O4  2  0.04  0.73  0.99  1.0
  O  O5  2  0.05  0.63  0.9  1.0
  O  O6  2  0.11  0.6  0.13  1.0
  O  O7  2  0.17  0.36  0.37  1.0
  O  O8  2  0.19  0.26  0.45  1.0
  O  O9  2  0.24  0.23  0.51  1.0
  O  O10  2  0.26  0.18  0.4  1.0
  O  O11  2  0.39  0.81  0.24  1.0

Bi Bi Bi Bi As As As As O O O O O O O O O O O O O O O O