data_[Zr16Nb8Bi12C12]
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
  Bi  2.0200  1.6000  1.0350
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [10.3949]
_cell_length_b [6.0188]
_cell_length_c [14.4955]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.8100]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Zr4Nb2(BiC)3]
_chemical_formula_sum '[Zr16 Nb8 Bi12 C12]'
_cell_volume [880.6857]
_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  0.1115  0.0805  0.0842  1
  Zr  Zr1  8  0.2204  0.0844  0.4159  1
  Nb  Nb2  8  0.0605  0.4146  0.9259  1
  Bi  Bi3  8  0.1610  0.4222  0.2493  1
  Bi  Bi4  4  0.0000  0.0950  0.7500  1
  C  C5  8  0.0820  0.2543  0.5000  1
  C  C6  4  0.2500  0.2500  0.0000  1
]