data_[Ce4Y4S14]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Y  1.2200  1.8000  1.0400
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [3.9896]
_cell_length_b [13.9696]
_cell_length_c [8.6474]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [44]
_chemical_formula_structural [Ce2Y2S7]
_chemical_formula_sum '[Ce4 Y4 S14]'
_cell_volume [481.9431]
_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
[
  Ce  Ce0  4  0.0000  0.2401  0.4167  1.0
  Y  Y1  2  0.0000  0.0000  0.1684  1.0
  Y  Y2  2  0.0000  0.5000  0.2089  1.0
  S  S3  4  0.0000  0.1107  0.8923  1.0
  S  S4  4  0.0000  0.3143  0.1113  1.0
  S  S5  4  0.0000  0.3619  0.7197  1.0
  S  S6  2  0.0000  0.0000  0.4889  1.0
]