data_[Er14Te6]
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 [P6_3mc]
_cell_length_a [9.6856]
_cell_length_b [9.6856]
_cell_length_c [7.1113]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [186]
_chemical_formula_structural [Er7Te3]
_chemical_formula_sum '[Er14 Te6]'
_cell_volume [577.7336]
_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  6  0.0757  0.5379  0.6700  1.0
  Er  Er1  6  0.1226  0.2452  0.9521  1.0
  Er  Er2  2  0.3333  0.6667  0.0241  1.0
  Te  Te3  6  0.2025  0.4050  0.3392  1.0
]