data_Ba2BiP
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.7
_cell_length_b   4.05
_cell_length_c   9.25
_cell_angle_alpha   90.0
_cell_angle_beta   90.51
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2BiP
_chemical_formula_sum   'Ba2 Bi1 P1'
_cell_volume   138.54
_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  0.81  0.03  0.9  1.0
  Ba  Ba1  1  0.8  0.03  0.35  1.0
  Bi  Bi2  1  0.96  0.0  0.62  1.0
  P  P3  1  0.0  0.0  0.0  1.0

data_Ba2BiP
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.7
_cell_length_b   4.05
_cell_length_c   9.25
_cell_angle_alpha   90.0
_cell_angle_beta   90.51
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2BiP
_chemical_formula_sum   'Ba2 Bi1 P1'
_cell_volume   138.54
_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  0.8  0.03  0.35  1.0
  Ba  Ba1  1  0.81  0.03  0.9  1.0
  Bi  Bi2  1  0.96  0.0  0.62  1.0
  P  P3  1  0.0  0.0  0.0  1.0

Ba Ba Bi P