data_CuP2Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.31
_cell_length_b   3.31
_cell_length_c   8.03
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.44
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuP2Cl
_chemical_formula_sum   'Cu1 P2 Cl1'
_cell_volume   75.7
_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  Cu1  1  0.64  0.0  0.91  1.0
  P  P2  1  0.0  0.0  0.06  1.0
  P  P3  1  0.64  0.0  0.59  1.0
  Cl  Cl0  1  0.0  0.0  0.49  1.0

data_CuP2Cl
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.31
_cell_length_b   5.7
_cell_length_c   8.03
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   CuP2Cl
_chemical_formula_sum   'Cu2 P4 Cl2'
_cell_volume   151.4
_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  0.36  0.0  0.09  1.0
  P  P1  2  0.0  0.0  0.94  1.0
  P  P2  2  0.36  0.0  0.41  1.0
  Cl  Cl3  2  0.0  0.0  0.51  1.0

Cu P P Cl