data_[Ce3Er12Ag3S24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Er  1.2400  1.7500  1.0300
  Ag  1.9300  1.6000  1.0867
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [7.9569]
_cell_length_b [7.9569]
_cell_length_c [19.9816]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [CeEr4AgS8]
_chemical_formula_sum '[Ce3 Er12 Ag3 S24]'
_cell_volume [1095.6054]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.0038  1.0
  Er  Er1  9  0.1725  0.3451  0.8321  1.0
  Er  Er2  3  0.0000  0.0000  0.6268  1.0
  Ag  Ag3  3  0.0000  0.0000  0.3727  1.0
  S  S4  9  0.0162  0.5081  0.7563  1.0
  S  S5  9  0.1739  0.3479  0.5772  1.0
  S  S6  3  0.0000  0.0000  0.2415  1.0
  S  S7  3  0.0000  0.0000  0.7589  1.0
]