data_[Nb8Sn4C2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nb  1.6000  1.4500  0.8200
  Sn  1.9600  1.4500  0.8300
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [Pbam]
_cell_length_a [7.3978]
_cell_length_b [10.3125]
_cell_length_c [3.3092]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [55]
_chemical_formula_structural [Nb4Sn2C]
_chemical_formula_sum '[Nb8 Sn4 C2]'
_cell_volume [252.4570]
_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
[
  Nb  Nb0  4  0.1316  0.6892  0.0000  1.0
  Nb  Nb1  4  0.1687  0.4226  0.5000  1.0
  Sn  Sn2  4  0.0636  0.1356  0.5000  1.0
  C  C3  2  0.0000  0.5000  0.0000  1.0
]