data_[Er12Sn2Te4Se6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Sn  1.9600  1.4500  0.8300
  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 [7.2576]
_cell_length_b [12.5414]
_cell_length_c [7.2908]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.2824]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Er6SnTe2Se3]
_chemical_formula_sum '[Er12 Sn2 Te4 Se6]'
_cell_volume [626.3904]
_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  0.2491  0.3391  0.7273  1
  Er  Er1  4  0.2284  0.0000  0.7248  1
  Sn  Sn2  2  0.0000  0.0000  0.0000  1
  Te  Te3  4  0.0000  0.3343  0.0000  1
  Se  Se4  4  0.0000  0.1715  0.5000  1
  Se  Se5  2  0.0000  0.5000  0.5000  1
]