data_[Er12In2Si4Te6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  In  1.7800  1.5500  0.9400
  Si  1.9000  1.1000  0.5400
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.7780]
_cell_length_b [4.1924]
_cell_length_c [8.6993]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.4122]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Er6InSi2Te3]
_chemical_formula_sum '[Er12 In2 Si4 Te6]'
_cell_volume [660.2311]
_cell_formula_units_Z [2]
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  4  0.0093  0.0000  0.2570  1.0
  Er  Er1  4  0.1689  0.5000  0.1082  1.0
  Er  Er2  4  0.1753  0.5000  0.5627  1.0
  In  In3  2  0.0000  0.5000  0.0000  1.0
  Si  Si4  4  0.1668  0.0000  0.3323  1.0
  Te  Te5  4  0.1641  0.0000  0.8304  1.0
  Te  Te6  2  0.0000  0.5000  0.5000  1.0
]