data_[Hf1Zr1Ti2C4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  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 [P2/m]
_cell_length_a [5.5231]
_cell_length_b [3.2043]
_cell_length_c [5.5501]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.5584]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [HfZr(TiC2)2]
_chemical_formula_sum '[Hf1 Zr1 Ti2 C4]'
_cell_volume [92.5553]
_cell_formula_units_Z [1]
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
[
  Hf  Hf0  1  0.0000  0.0000  0.0000  1.0
  Zr  Zr1  1  0.0000  0.5000  0.5000  1.0
  Ti  Ti2  1  0.5000  0.0000  0.5000  1.0
  Ti  Ti3  1  0.5000  0.5000  0.0000  1.0
  C  C4  2  0.2637  0.5000  0.2525  1.0
  C  C5  2  0.2654  0.0000  0.7573  1.0
]