data_BMoP2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.93
_cell_length_b   2.93
_cell_length_c   7.46
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   115.08
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BMoP2
_chemical_formula_sum   'B1 Mo1 P2'
_cell_volume   58.22
_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
  B  B0  1  0.0  0.0  0.78  1.0
  Mo  Mo1  1  0.58  0.0  0.18  1.0
  P  P2  1  0.0  0.0  0.33  1.0
  P  P3  1  0.58  0.0  0.9  1.0

data_BMoP2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.93
_cell_length_b   2.93
_cell_length_c   7.46
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   115.08
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BMoP2
_chemical_formula_sum   'B1 Mo1 P2'
_cell_volume   58.22
_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
  B  B0  1  0.0  0.0  0.78  1.0
  Mo  Mo1  1  0.58  0.0  0.18  1.0
  P  P2  1  0.0  0.0  0.33  1.0
  P  P3  1  0.58  0.0  0.9  1.0

B Mo P P
B Mo P P 0 3 - o o 1 2 o o o 1 2 + o o 