data_[Ce2Ta2Nb2C6]
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
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [5.7000]
_cell_length_b [3.3186]
_cell_length_c [8.6103]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.5620]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [CeTaNbC3]
_chemical_formula_sum '[Ce2 Ta2 Nb2 C6]'
_cell_volume [158.9754]
_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  0.3523  0.2500  0.3048  1.0
  Ta  Ta1  2  0.2348  0.7500  0.9572  1.0
  Nb  Nb2  2  0.1308  0.2500  0.6427  1.0
  C  C3  2  0.0345  0.7500  0.1477  1.0
  C  C4  2  0.2399  0.7500  0.5128  1.0
  C  C5  2  0.4371  0.2500  0.8483  1.0
]