data_[K6Er4Sb2Te12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Er  1.2400  1.7500  1.0300
  Sb  2.0500  1.4500  0.8300
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.7957]
_cell_length_b [13.5061]
_cell_length_c [8.6280]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.5447]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [K3Er2SbTe6]
_chemical_formula_sum '[K6 Er4 Sb2 Te12]'
_cell_volume [866.1855]
_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
[
  K  K0  4  0.0000  0.1655  0.5000  1.0
  K  K1  2  0.0000  0.5000  0.5000  1.0
  Er  Er2  4  0.0000  0.3332  0.0000  1.0
  Sb  Sb3  2  0.0000  0.0000  0.0000  1.0
  Te  Te4  8  0.2357  0.1672  0.2055  1.0
  Te  Te5  4  0.2340  0.5000  0.2052  1.0
]