data_BaBi3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.65
_cell_length_b   5.9
_cell_length_c   6.63
_cell_angle_alpha   90.0
_cell_angle_beta   94.18
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaBi3
_chemical_formula_sum   'Ba1 Bi3'
_cell_volume   142.11
_cell_formula_units_Z   1
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
  Ba  Ba0  1  0.0  0.0  0.0  1.0
  Bi  Bi1  1  0.19  0.95  0.01  1.0
  Bi  Bi2  1  0.58  0.0  0.3  1.0
  Bi  Bi3  1  0.98  0.95  0.6  1.0

data_BaBi3
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.65
_cell_length_b   5.9
_cell_length_c   6.63
_cell_angle_alpha   90.0
_cell_angle_beta   94.18
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaBi3
_chemical_formula_sum   'Ba1 Bi3'
_cell_volume   142.11
_cell_formula_units_Z   1
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
  Ba  Ba0  1  0.0  0.0  0.0  1.0
  Bi  Bi1  1  0.19  0.95  0.01  1.0
  Bi  Bi2  1  0.58  0.0  0.3  1.0
  Bi  Bi3  1  0.98  0.95  0.6  1.0

Ba Bi Bi Bi
Ba Bi Bi Bi 0 1 o - o 0 2 o o o 0 2 - o o 0 3 - - - 1 2 o + o 1 3 - o - 2 3 o - o 