data_[Ce2Ta2Nb2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Ta  1.5000  1.4500  0.8200
  Nb  1.6000  1.4500  0.8200
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [3.0345]
_cell_length_b [5.6846]
_cell_length_c [7.4911]
_cell_angle_alpha [95.2803]
_cell_angle_beta [101.3590]
_cell_angle_gamma [103.7549]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [CeTaNb]
_chemical_formula_sum '[Ce2 Ta2 Nb2]'
_cell_volume [121.7401]
_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
[
  Ce  Ce0  2  0.2469  0.4193  0.6593  1
  Ta  Ta1  2  0.2405  0.7539  0.9929  1
  Nb  Nb2  2  0.1950  0.0416  0.3135  1
]