data_[Er8Te12]
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 [11.9216]
_cell_length_b [4.2562]
_cell_length_c [11.8136]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [Er2Te3]
_chemical_formula_sum '[Er8 Te12]'
_cell_volume [599.4335]
_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  0.0187  0.7500  0.6889  1.0
  Er  Er1  4  0.1960  0.7500  0.9968  1.0
  Te  Te2  4  0.0420  0.2500  0.8769  1.0
  Te  Te3  4  0.1170  0.7500  0.4440  1.0
  Te  Te4  4  0.2221  0.2500  0.1931  1.0
]