data_[Er24Ni4Te12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Ni  1.9100  1.3500  0.7400
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [10.5414]
_cell_length_b [15.4740]
_cell_length_c [6.8996]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Er6NiTe3]
_chemical_formula_sum '[Er24 Ni4 Te12]'
_cell_volume [1125.4400]
_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  8  0.1610  0.2624  0.2225  1
  Er  Er1  8  0.1974  0.4267  0.5968  1
  Er  Er2  4  0.0000  0.0090  0.7883  1
  Er  Er3  4  0.0000  0.2328  0.7315  1
  Ni  Ni4  4  0.0000  0.1436  0.0535  1
  Te  Te5  8  0.1877  0.1026  0.5023  1
  Te  Te6  4  0.0000  0.4378  0.2691  1
]