data_BaSr2Bi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.77
_cell_length_b   4.83
_cell_length_c   8.04
_cell_angle_alpha   90.0
_cell_angle_beta   94.99
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaSr2Bi
_chemical_formula_sum   'Ba1 Sr2 Bi1'
_cell_volume   184.44
_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  0.88  0.0  0.34  1.0
  Sr  Sr2  1  0.76  0.0  0.76  1.0
  Sr  Sr3  1  0.18  0.42  0.93  1.0
  Bi  Bi1  1  0.97  0.42  0.0  1.0

data_BaSr2Bi
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.77
_cell_length_b   4.83
_cell_length_c   8.04
_cell_angle_alpha   90.0
_cell_angle_beta   94.99
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaSr2Bi
_chemical_formula_sum   'Ba1 Sr2 Bi1'
_cell_volume   184.44
_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  0.88  0.0  0.34  1.0
  Sr  Sr1  1  0.18  0.42  0.93  1.0
  Sr  Sr2  1  0.76  0.0  0.76  1.0
  Bi  Bi3  1  0.97  0.42  0.0  1.0

Ba Sr Sr Bi