data_[Cr2P4Cl4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cr  1.6600  1.4000  0.9400
  P  2.1900  1.0000  0.5500
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P2_1]
_cell_length_a [6.7535]
_cell_length_b [5.3345]
_cell_length_c [7.9095]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.2818]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [4]
_chemical_formula_structural [Cr(PCl)2]
_chemical_formula_sum '[Cr2 P4 Cl4]'
_cell_volume [284.7290]
_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
[
  Cr  Cr0  2  0.4174  0.5186  0.3258  1
  P  P1  2  0.3910  0.1621  0.8996  1
  P  P2  2  0.4132  0.7619  0.8866  1
  Cl  Cl3  2  0.1144  0.4792  0.2183  1
  Cl  Cl4  2  0.3393  0.9070  0.4688  1
]