data_[Nb20In4C4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nb  1.6000  1.4500  0.8200
  In  1.7800  1.5500  0.9400
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [7.6617]
_cell_length_b [8.1771]
_cell_length_c [7.9000]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.7331]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Nb5InC]
_chemical_formula_sum '[Nb20 In4 C4]'
_cell_volume [486.2758]
_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
[
  Nb  Nb0  8  0.1257  0.2301  0.6285  1
  Nb  Nb1  8  0.2426  0.4073  0.0264  1
  Nb  Nb2  4  0.0000  0.1061  0.2500  1
  In  In3  4  0.0000  0.4490  0.2500  1
  C  C4  4  0.0000  0.0000  0.0000  1
]