data_BP2Rh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.94
_cell_length_b   2.94
_cell_length_c   6.83
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   115.85
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BP2Rh
_chemical_formula_sum   'B1 P2 Rh1'
_cell_volume   53.09
_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  0.59  1.0
  P  P1  1  0.56  0.0  0.47  1.0
  P  P2  1  0.0  0.0  0.98  1.0
  Rh  Rh3  1  0.56  0.0  0.2  1.0

data_BP2Rh
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.94
_cell_length_b   2.94
_cell_length_c   6.83
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   115.85
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BP2Rh
_chemical_formula_sum   'B1 P2 Rh1'
_cell_volume   53.09
_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  0.59  1.0
  P  P1  1  0.0  0.0  0.98  1.0
  P  P2  1  0.56  0.0  0.47  1.0
  Rh  Rh3  1  0.56  0.0  0.2  1.0

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