data_Bi2MoP
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.46
_cell_length_b   5.46
_cell_length_c   5.46
_cell_angle_alpha   136.93
_cell_angle_beta   126.27
_cell_angle_gamma   71.21
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Bi2MoP
_chemical_formula_sum   'Bi2 Mo1 P1'
_cell_volume   87.82
_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
  Bi  Bi0  1  0.0  0.0  0.99  1.0
  Bi  Bi1  1  0.0  0.47  0.45  1.0
  Mo  Mo2  1  0.0  0.0  0.44  1.0
  P  P3  1  0.0  0.0  0.0  1.0

data_Bi2MoP
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.01
_cell_length_b   4.93
_cell_length_c   5.46
_cell_angle_alpha   116.87
_cell_angle_beta   111.53
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Bi2MoP
_chemical_formula_sum   'Bi2 Mo1 P1'
_cell_volume   87.82
_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
  Bi  Bi0  1  0.0  0.99  0.99  1.0
  Bi  Bi1  1  0.53  0.98  0.98  1.0
  Mo  Mo2  1  0.0  0.44  0.44  1.0
  P  P3  1  0.0  0.0  0.0  1.0

Bi Bi Mo P