data_[Er12Si2Te6Se4]
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
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.2098]
_cell_length_b [12.4579]
_cell_length_c [7.4044]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.8628]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Er6SiTe3Se2]
_chemical_formula_sum '[Er12 Si2 Te6 Se4]'
_cell_volume [629.3362]
_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  8  0.2317  0.1604  0.2151  1.0
  Er  Er1  4  0.2474  0.0000  0.7830  1.0
  Si  Si2  2  0.0000  0.0000  0.0000  1.0
  Te  Te3  4  0.0000  0.1704  0.5000  1.0
  Te  Te4  2  0.0000  0.5000  0.5000  1.0
  Se  Se5  4  0.0000  0.3341  0.0000  1.0
]