data_[Er12Te8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [11.7861]
_cell_length_b [4.0583]
_cell_length_c [11.5600]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [Er3Te2]
_chemical_formula_sum '[Er12 Te8]'
_cell_volume [552.9244]
_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  4  0.0442  0.2500  0.8766  1
  Er  Er1  4  0.1227  0.7500  0.4325  1
  Er  Er2  4  0.2076  0.2500  0.2073  1
  Te  Te3  4  0.0347  0.7500  0.6790  1
  Te  Te4  4  0.1952  0.7500  0.0022  1
]