data_[Er4Te6]
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 [P31m]
_cell_length_a [7.4409]
_cell_length_b [7.4409]
_cell_length_c [20.8545]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [157]
_chemical_formula_structural [Er2Te3]
_chemical_formula_sum '[Er4 Te6]'
_cell_volume [999.9471]
_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  3  0.0000  0.3648  0.5214  1
  Er  Er1  1  0.0000  0.0000  0.3223  1
  Te  Te2  3  0.0000  0.6894  0.6030  1
  Te  Te3  2  0.3333  0.6667  0.4265  1
  Te  Te4  1  0.0000  0.0000  0.4513  1
]