data_[Ce4Te2S6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Te  2.1000  1.4000  1.2933
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Pma2]
_cell_length_a [8.3939]
_cell_length_b [4.1815]
_cell_length_c [8.5871]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [28]
_chemical_formula_structural [Ce2TeS3]
_chemical_formula_sum '[Ce4 Te2 S6]'
_cell_volume [301.3965]
_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  0.0000  0.0000  0.4295  1
  Ce  Ce1  2  0.2500  0.5270  0.0157  1
  Te  Te2  2  0.0000  0.5000  0.7215  1
  S  S3  2  0.0000  0.0000  0.0902  1
  S  S4  2  0.2500  0.1035  0.7256  1
  S  S5  2  0.2500  0.5067  0.3564  1
]