data_[Zr16Nb8In12C12]
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
  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 [9.9387]
_cell_length_b [5.7438]
_cell_length_c [15.1805]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.6564]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Zr4Nb2(InC)3]
_chemical_formula_sum '[Zr16 Nb8 In12 C12]'
_cell_volume [845.5341]
_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
[
  Zr  Zr0  8  0.1124  0.9209  0.0860  1
  Zr  Zr1  8  0.2191  0.0853  0.9139  1
  Nb  Nb2  8  0.0598  0.4149  0.4235  1
  In  In3  8  0.1570  0.4247  0.7488  1
  In  In4  4  0.0000  0.1037  0.2500  1
  C  C5  8  0.0814  0.2554  1.0000  1
  C  C6  4  0.2500  0.2500  0.5000  1
]