data_[Ce2Y8S14]
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 [Cm]
_cell_length_a [13.0621]
_cell_length_b [3.8194]
_cell_length_c [11.7007]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.5410]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [CeY4S7]
_chemical_formula_sum '[Ce2 Y8 S14]'
_cell_volume [565.0337]
_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  2  0.1117  0.0000  0.4195  1.0
  Y  Y1  2  0.0000  0.0000  0.9983  1.0
  Y  Y2  2  0.1997  0.5000  0.8124  1.0
  Y  Y3  2  0.2999  0.0000  0.1867  1.0
  Y  Y4  2  0.3872  0.5000  0.5824  1.0
  S  S5  2  0.0433  0.0000  0.7854  1.0
  S  S6  2  0.1578  0.5000  0.0518  1.0
  S  S7  2  0.2474  0.5000  0.3508  1.0
  S  S8  2  0.2610  0.0000  0.6517  1.0
  S  S9  2  0.3409  0.0000  0.9478  1.0
  S  S10  2  0.4548  0.5000  0.2102  1.0
  S  S11  2  0.4962  0.0000  0.5031  1.0
]