data_[Ce4Y2Er6S12]
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
  Er  1.2400  1.7500  1.0300
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.2114]
_cell_length_b [3.9000]
_cell_length_c [7.8906]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.1334]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ce2Y(ErS2)3]
_chemical_formula_sum '[Ce4 Y2 Er6 S12]'
_cell_volume [513.6219]
_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  0.1676  0.0000  0.3360  1.0
  Y  Y1  2  0.0000  0.5000  0.0000  1.0
  Er  Er2  4  0.1673  0.0000  0.8320  1.0
  Er  Er3  2  0.0000  0.5000  0.5000  1.0
  S  S4  4  0.0033  0.0000  0.7487  1.0
  S  S5  4  0.1625  0.5000  0.5922  1.0
  S  S6  4  0.1672  0.5000  0.0734  1.0
]