data_[Er10Sb2Te10]
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 [13.5847]
_cell_length_b [6.1208]
_cell_length_c [8.6221]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.3369]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Er5SbTe5]
_chemical_formula_sum '[Er10 Sb2 Te10]'
_cell_volume [680.5223]
_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  0.1624  0.0000  0.3315  1.0
  Er  Er1  4  0.1644  0.0000  0.8320  1.0
  Er  Er2  2  0.0000  0.5000  0.0000  1.0
  Sb  Sb3  2  0.0000  0.0000  0.0000  1.0
  Te  Te4  4  0.1647  0.5000  0.3374  1.0
  Te  Te5  4  0.1652  0.5000  0.8279  1.0
  Te  Te6  2  0.0000  0.0000  0.5000  1.0
]