data_[Er12Cu2Te4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Cu  1.9000  1.3500  0.8200
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.2485]
_cell_length_b [7.8418]
_cell_length_c [11.6469]
_cell_angle_alpha [90.0000]
_cell_angle_beta [121.2366]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Er6CuTe2]
_chemical_formula_sum '[Er12 Cu2 Te4]'
_cell_volume [487.9666]
_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  0.0891  0.7004  0.9583  1.0
  Er  Er1  4  0.3281  0.1739  0.9602  1.0
  Er  Er2  4  0.3797  0.5307  0.7430  1.0
  Cu  Cu3  2  0.5000  0.0000  0.5000  1.0
  Te  Te4  4  0.1367  0.6101  0.2408  1.0
]