data_[Gd2Cr2Se6S2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Gd  1.2000  1.8000  1.0750
  Cr  1.6600  1.4000  0.9400
  Se  2.5500  1.1500  1.0133
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.6315]
_cell_length_b [6.9385]
_cell_length_c [7.5223]
_cell_angle_alpha [88.3232]
_cell_angle_beta [88.7041]
_cell_angle_gamma [83.8266]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [GdCrSe3S]
_chemical_formula_sum '[Gd2 Cr2 Se6 S2]'
_cell_volume [343.8986]
_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
[
  Gd  Gd0  2  0.1970  0.6996  0.0520  1
  Cr  Cr1  2  0.3026  0.2610  0.8156  1
  Se  Se2  2  0.1093  0.0140  0.7772  1
  Se  Se3  2  0.3867  0.2766  0.1042  1
  Se  Se4  2  0.4300  0.7521  0.3684  1
  S  S5  2  0.0894  0.5092  0.7564  1
]