data_[Er12Te4S24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Te  2.1000  1.4000  1.2933
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [10.4870]
_cell_length_b [13.3266]
_cell_length_c [6.6864]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Er3TeS6]
_chemical_formula_sum '[Er12 Te4 S24]'
_cell_volume [934.4644]
_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  0.1897  0.1022  0.9907  1.0
  Er  Er1  4  0.0000  0.4095  0.8849  1.0
  Te  Te2  4  0.0000  0.1660  0.4685  1.0
  S  S3  8  0.1643  0.2699  0.7089  1.0
  S  S4  8  0.1648  0.4664  0.1848  1.0
  S  S5  4  0.0000  0.0107  0.7457  1.0
  S  S6  4  0.0000  0.2309  0.1175  1.0
]