data_[Zr10Ta2C12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  Ta  1.5000  1.4500  0.8200
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [5.7331]
_cell_length_b [9.9238]
_cell_length_c [5.7300]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.5156]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Zr5TaC6]
_chemical_formula_sum '[Zr10 Ta2 C12]'
_cell_volume [307.2790]
_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  0.0000  0.1671  0.5000  1
  Zr  Zr1  4  0.0000  0.3336  0.0000  1
  Zr  Zr2  2  0.0000  0.5000  0.5000  1
  Ta  Ta3  2  0.0000  0.0000  0.0000  1
  C  C4  8  0.2439  0.1627  0.2442  1
  C  C5  4  0.2433  0.0000  0.7551  1
]