data_[Er12Si4Te8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Si  1.9000  1.1000  0.5400
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [7.4856]
_cell_length_b [12.7074]
_cell_length_c [7.3191]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.7221]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Er3SiTe2]
_chemical_formula_sum '[Er12 Si4 Te8]'
_cell_volume [655.3761]
_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  0.2114  0.4280  0.4935  1.0
  Er  Er1  4  0.2500  0.2500  0.0000  1.0
  Si  Si2  4  0.0000  0.4092  0.7500  1.0
  Te  Te3  4  0.0000  0.0804  0.7500  1.0
  Te  Te4  4  0.0000  0.2397  0.2500  1.0
]