data_[Zr10Nb2C10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  Nb  1.6000  1.4500  0.8200
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.4451]
_cell_length_b [4.6801]
_cell_length_c [6.6436]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.5336]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Zr5NbC5]
_chemical_formula_sum '[Zr10 Nb2 C10]'
_cell_volume [307.9209]
_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
[
  Zr  Zr0  4  0.1696  0.5000  0.8447  1.0
  Zr  Zr1  4  0.1749  0.5000  0.3283  1.0
  Zr  Zr2  2  0.0000  0.0000  0.5000  1.0
  Nb  Nb3  2  0.0000  0.0000  0.0000  1.0
  C  C4  4  0.1642  0.0000  0.3304  1.0
  C  C5  4  0.1656  0.0000  0.8352  1.0
  C  C6  2  0.0000  0.5000  0.0000  1.0
]