data_[Hf1Zr2Ta1C4]
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
  Ta  1.5000  1.4500  0.8200
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [5.6740]
_cell_length_b [3.2831]
_cell_length_c [5.6793]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.3703]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [HfZr2TaC4]
_chemical_formula_sum '[Hf1 Zr2 Ta1 C4]'
_cell_volume [99.8087]
_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  0.5000  0.5000  0.0000  1.0
  Zr  Zr1  1  0.0000  0.5000  0.5000  1.0
  Zr  Zr2  1  0.5000  0.0000  0.5000  1.0
  Ta  Ta3  1  0.0000  0.0000  0.0000  1.0
  C  C4  2  0.2414  0.5000  0.2384  1.0
  C  C5  2  0.2475  0.0000  0.7587  1.0
]