data_Cu(BP3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.1
_cell_length_b   4.1
_cell_length_c   7.29
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu(BP3)2
_chemical_formula_sum   'Cu1 B2 P6'
_cell_volume   122.79
_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  0.0  0.0  0.65  1.0
  B  B0  1  0.05  0.05  0.34  1.0
  B  B1  1  0.05  0.05  0.95  1.0
  P  P3  1  0.0  0.05  0.83  1.0
  P  P4  1  0.05  0.0  0.83  1.0
  P  P5  1  0.0  0.05  0.46  1.0
  P  P6  1  0.05  0.0  0.46  1.0
  P  P7  1  0.05  0.05  0.0  1.0
  P  P8  1  0.0  0.0  0.0  1.0

data_Cu(BP3)2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.8
_cell_length_b   5.8
_cell_length_c   7.29
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Cu(BP3)2
_chemical_formula_sum   'Cu2 B4 P12'
_cell_volume   245.59
_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
  Cu  Cu0  2  0.0  0.0  0.65  1.0
  B  B1  2  0.05  0.0  0.34  1.0
  B  B2  2  0.05  0.0  0.95  1.0
  P  P3  4  0.03  0.03  0.46  1.0
  P  P4  4  0.03  0.03  0.83  1.0
  P  P5  2  0.0  0.0  0.0  1.0
  P  P6  2  0.05  0.0  0.0  1.0

Cu B B P P P P P P