data_[Cr2S2Cl2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cr  1.6600  1.4000  0.9400
  S  2.5800  1.0000  0.8800
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [5.6341]
_cell_length_b [3.2782]
_cell_length_c [6.4675]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.2134]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [CrSCl]
_chemical_formula_sum '[Cr2 S2 Cl2]'
_cell_volume [119.4513]
_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  0.3083  0.2500  0.5099  1
  S  S1  2  0.4159  0.7500  0.7332  1
  Cl  Cl2  2  0.0820  0.7500  0.3047  1
]