data_[Er24Sb4S16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Sb  2.0500  1.4500  0.8300
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.9458]
_cell_length_b [12.6982]
_cell_length_c [19.8270]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Er6SbS4]
_chemical_formula_sum '[Er24 Sb4 S16]'
_cell_volume [993.4185]
_cell_formula_units_Z [4]
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
[
  Er  Er0  8  0.0000  0.0440  0.1593  1
  Er  Er1  8  0.0000  0.2286  0.5885  1
  Er  Er2  4  0.0000  0.3482  0.2500  1
  Er  Er3  4  0.0000  0.5000  0.0000  1
  Sb  Sb4  4  0.0000  0.3329  0.7500  1
  S  S5  8  0.0000  0.1398  0.0376  1
  S  S6  8  0.0000  0.4091  0.1219  1
]