data_[Zr4V4C6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  V  1.6300  1.3500  0.7775
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.9423]
_cell_length_b [3.1887]
_cell_length_c [5.3301]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.7550]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Zr2V2C3]
_chemical_formula_sum '[Zr4 V4 C6]'
_cell_volume [176.1026]
_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  0.1120  0.5000  0.8389  1
  V  V1  4  0.1519  0.0000  0.3392  1
  C  C2  4  0.2475  0.0000  0.7359  1
  C  C3  2  0.0000  0.0000  0.0000  1
]