data_[Cr2P3Cl3]
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 [P1]
_cell_length_a [3.3085]
_cell_length_b [8.7685]
_cell_length_c [20.5195]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [94.2194]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Cr2(PCl)3]
_chemical_formula_sum '[Cr2 P3 Cl3]'
_cell_volume [593.6655]
_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
[
  Cr  Cr0  1  0.4653  0.1511  0.5318  1
  Cr  Cr1  1  0.9614  0.1299  0.4152  1
  P  P2  1  0.0008  0.3325  0.4869  1
  P  P3  1  0.0110  0.3957  0.5886  1
  P  P4  1  0.4296  0.9662  0.4585  1
  Cl  Cl5  1  0.0546  0.6320  0.5814  1
  Cl  Cl6  1  0.4695  0.1715  0.3343  1
  Cl  Cl7  1  0.9471  0.0583  0.6033  1
]