data_NiBiAsO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.32
_cell_length_b   6.83
_cell_length_c   6.92
_cell_angle_alpha   111.26
_cell_angle_beta   107.16
_cell_angle_gamma   95.93
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NiBiAsO5
_chemical_formula_sum   'Ni2 Bi2 As2 O10'
_cell_volume   217.53
_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
  Ni  Ni0  1  0.66  0.46  0.44  1.0
  Ni  Ni1  1  0.91  0.59  0.58  1.0
  Bi  Bi2  1  0.0  0.96  0.81  1.0
  Bi  Bi3  1  0.56  0.1  0.21  1.0
  As  As4  1  0.66  0.85  0.68  1.0
  As  As5  1  0.91  0.21  0.34  1.0
  O  O6  1  0.65  0.25  0.28  1.0
  O  O7  1  0.62  0.62  0.65  1.0
  O  O8  1  0.95  0.44  0.37  1.0
  O  O9  1  0.78  0.24  0.25  1.0
  O  O10  1  0.38  0.68  0.22  1.0
  O  O11  1  0.55  0.44  0.58  1.0
  O  O12  1  0.92  0.81  0.74  1.0
  O  O13  1  0.19  0.38  0.81  1.0
  O  O14  1  0.79  0.81  0.78  1.0
  O  O15  1  0.02  0.62  0.44  1.0

data_NiBiAsO5
_symmetry_space_group_name_H-M   P-1
_cell_length_a   5.32
_cell_length_b   6.83
_cell_length_c   6.92
_cell_angle_alpha   111.26
_cell_angle_beta   107.16
_cell_angle_gamma   95.93
_symmetry_Int_Tables_number   2
_chemical_formula_structural   NiBiAsO5
_chemical_formula_sum   'Ni2 Bi2 As2 O10'
_cell_volume   217.53
_cell_formula_units_Z   2
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
  Ni  Ni0  2  0.38  0.43  0.43  1.0
  Bi  Bi1  2  0.28  0.07  0.2  1.0
  As  As2  2  0.38  0.82  0.67  1.0
  O  O3  2  0.09  0.65  0.2  1.0
  O  O4  2  0.26  0.41  0.57  1.0
  O  O5  2  0.33  0.59  0.64  1.0
  O  O6  2  0.37  0.22  0.27  1.0
  O  O7  2  0.5  0.21  0.23  1.0

Ni Ni Bi Bi As As O O O O O O O O O O