data_[Er4Nb4C8]
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
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [5.7211]
_cell_length_b [3.4687]
_cell_length_c [11.0989]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [ErNbC2]
_chemical_formula_sum '[Er4 Nb4 C8]'
_cell_volume [220.2572]
_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  4  0.0854  0.7500  0.1398  1.0
  Nb  Nb1  4  0.0961  0.2500  0.3942  1.0
  C  C2  4  0.1481  0.7500  0.7525  1.0
  C  C3  4  0.2296  0.7500  0.4863  1.0
]