data_CuB2P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.34
_cell_length_b   5.34
_cell_length_c   3.84
_cell_angle_alpha   109.8
_cell_angle_beta   109.8
_cell_angle_gamma   32.56
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuB2P
_chemical_formula_sum   'Cu1 B2 P1'
_cell_volume   54.99
_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
  Cu  Cu2  1  0.28  0.0  0.1  1.0
  B  B0  1  0.11  0.0  0.59  1.0
  B  B1  1  0.32  0.0  0.34  1.0
  P  P3  1  0.86  0.0  0.35  1.0

data_CuB2P
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.99
_cell_length_b   3.84
_cell_length_c   5.34
_cell_angle_alpha   109.8
_cell_angle_beta   106.28
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuB2P
_chemical_formula_sum   'Cu1 B2 P1'
_cell_volume   54.99
_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
  Cu  Cu0  1  0.0  0.1  0.28  1.0
  B  B1  1  0.0  0.34  0.32  1.0
  B  B2  1  0.0  0.59  0.11  1.0
  P  P3  1  0.0  0.35  0.86  1.0

Cu B B P
Cu B B P 0 2 o o o 1 3 - o o 