data_[Nd3Er3Ni1Te2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  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 [P-62m]
_cell_length_a [8.4707]
_cell_length_b [8.4707]
_cell_length_c [4.0136]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [189]
_chemical_formula_structural [Nd3Er3NiTe2]
_chemical_formula_sum '[Nd3 Er3 Ni1 Te2]'
_cell_volume [249.3998]
_cell_formula_units_Z [1]
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
[
  Nd  Nd0  3  0.0000  0.4052  0.0000  1
  Er  Er1  3  0.0000  0.7668  0.5000  1
  Ni  Ni2  1  0.0000  0.0000  0.0000  1
  Te  Te3  2  0.3333  0.6667  0.5000  1
]