data_[Er3Nb3Ni3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Nb  1.6000  1.4500  0.8200
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [4.8323]
_cell_length_b [4.8323]
_cell_length_c [8.2218]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [187]
_chemical_formula_structural [ErNbNi]
_chemical_formula_sum '[Er3 Nb3 Ni3]'
_cell_volume [166.2676]
_cell_formula_units_Z [3]
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  2  0.6667  0.3333  0.3074  1
  Er  Er1  1  0.0000  0.0000  0.0000  1
  Nb  Nb2  2  0.3333  0.6667  0.1548  1
  Nb  Nb3  1  0.3333  0.6667  0.5000  1
  Ni  Ni4  2  0.0000  0.0000  0.3548  1
  Ni  Ni5  1  0.6667  0.3333  0.0000  1
]