data_[Cu2P4Cl16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cu  1.9000  1.3500  0.8200
  P  2.1900  1.0000  0.5500
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.2673]
_cell_length_b [10.6504]
_cell_length_c [8.7806]
_cell_angle_alpha [90.0000]
_cell_angle_beta [116.3612]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cu(PCl4)2]
_chemical_formula_sum '[Cu2 P4 Cl16]'
_cell_volume [860.3213]
_cell_formula_units_Z [2]
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  2  0.0000  0.0000  0.0000  1.0
  P  P1  4  0.2091  0.0000  0.6364  1.0
  Cl  Cl2  8  0.1922  0.1507  0.7749  1.0
  Cl  Cl3  4  0.0717  0.5000  0.2946  1.0
  Cl  Cl4  4  0.1905  0.0000  0.2241  1.0
]