data_[Er12Cr4S24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Cr  1.6600  1.4000  0.9400
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [10.5361]
_cell_length_b [13.0266]
_cell_length_c [6.5121]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Er3CrS6]
_chemical_formula_sum '[Er12 Cr4 S24]'
_cell_volume [893.7833]
_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  0.1840  0.1005  0.5199  1
  Er  Er1  4  0.0000  0.4007  0.6043  1
  Cr  Cr2  4  0.0000  0.1945  0.9843  1
  S  S3  8  0.1626  0.4718  0.3121  1
  S  S4  8  0.1627  0.2631  0.8054  1
  S  S5  4  0.0000  0.0386  0.8154  1
  S  S6  4  0.0000  0.2206  0.3359  1
]