data_[Er12Sb4Te8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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 [7.5031]
_cell_length_b [12.9787]
_cell_length_c [7.5181]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.3554]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Er3SbTe2]
_chemical_formula_sum '[Er12 Sb4 Te8]'
_cell_volume [690.7336]
_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  0.2485  0.3303  0.7584  1
  Er  Er1  4  0.2376  0.5000  0.2384  1
  Sb  Sb2  4  0.0000  0.3322  0.0000  1
  Te  Te3  4  0.0000  0.1638  0.5000  1
  Te  Te4  2  0.0000  0.0000  0.0000  1
  Te  Te5  2  0.0000  0.5000  0.5000  1
]