data_[Zr10Ti2C8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  Ti  1.5400  1.4000  0.8517
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.3183]
_cell_length_b [3.3007]
_cell_length_c [6.6046]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.9164]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Zr5TiC4]
_chemical_formula_sum '[Zr10 Ti2 C8]'
_cell_volume [302.9718]
_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  0.1596  0.0000  0.3188  1.0
  Zr  Zr1  4  0.1635  0.0000  0.8482  1.0
  Zr  Zr2  2  0.0000  0.5000  0.5000  1.0
  Ti  Ti3  2  0.0000  0.5000  0.0000  1.0
  C  C4  4  0.0007  0.0000  0.2419  1.0
  C  C5  4  0.1648  0.5000  0.0873  1.0
]