data_[Er8In2Te2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  In  1.7800  1.5500  0.9400
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.0547]
_cell_length_b [6.4576]
_cell_length_c [8.5856]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.8425]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Er4InTe]
_chemical_formula_sum '[Er8 In2 Te2]'
_cell_volume [335.2744]
_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  0.1453  0.0029  0.3075  1.0
  Er  Er1  2  0.3419  0.7500  0.9594  1.0
  Er  Er2  2  0.3716  0.2500  0.6569  1.0
  In  In3  2  0.3117  0.7500  0.6106  1.0
  Te  Te4  2  0.1607  0.2500  0.9743  1.0
]