data_CrBP2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.38
_cell_length_b   4.38
_cell_length_c   4.38
_cell_angle_alpha   133.17
_cell_angle_beta   133.17
_cell_angle_gamma   68.39
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrBP2
_chemical_formula_sum   'Cr1 B1 P2'
_cell_volume   44.02
_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
  Cr  Cr1  1  0.0  0.0  0.63  1.0
  B  B0  1  0.0  0.0  0.0  1.0
  P  P2  1  0.0  0.74  0.81  1.0
  P  P3  1  0.74  0.0  0.81  1.0

data_CrBP2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.93
_cell_length_b   4.93
_cell_length_c   4.38
_cell_angle_alpha   90.0
_cell_angle_beta   124.2
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   CrBP2
_chemical_formula_sum   'Cr2 B2 P4'
_cell_volume   88.03
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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
  Cr  Cr0  2  0.0  0.0  0.63  1.0
  B  B1  2  0.0  0.0  0.0  1.0
  P  P2  4  0.13  0.13  0.07  1.0

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