data_[Co1P1Cl2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Co  1.8800  1.3500  0.7683
  P  2.1900  1.0000  0.5500
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [Pmmm]
_cell_length_a [3.0581]
_cell_length_b [4.0304]
_cell_length_c [5.9006]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [47]
_chemical_formula_structural [CoPCl2]
_chemical_formula_sum '[Co1 P1 Cl2]'
_cell_volume [72.7281]
_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
[
  Co  Co0  1  0.5000  0.5000  0.0000  1
  P  P1  1  0.0000  0.5000  0.5000  1
  Cl  Cl2  1  0.0000  0.0000  0.0000  1
  Cl  Cl3  1  0.5000  0.0000  0.5000  1
]