data_[Zr2Ta10C10]
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 [10.0207]
_cell_length_b [4.5380]
_cell_length_c [6.3259]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.4448]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Zr(TaC)5]
_chemical_formula_sum '[Zr2 Ta10 C10]'
_cell_volume [272.8854]
_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  2  0.0000  0.0000  0.0000  1
  Ta  Ta1  4  0.1701  0.5000  0.8383  1
  Ta  Ta2  4  0.1716  0.5000  0.3320  1
  Ta  Ta3  2  0.0000  0.0000  0.5000  1
  C  C4  4  0.1691  0.0000  0.3406  1
  C  C5  4  0.1720  0.0000  0.8310  1
  C  C6  2  0.0000  0.5000  0.0000  1
]