data_[Hf4Zr4Co4]
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
  Co  1.8800  1.3500  0.7683
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.3435]
_cell_length_b [3.3398]
_cell_length_c [5.2541]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.1658]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [HfZrCo]
_chemical_formula_sum '[Hf4 Zr4 Co4]'
_cell_volume [227.9941]
_cell_formula_units_Z [4]
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  4  0.1511  0.0000  0.3360  1.0
  Zr  Zr1  4  0.0679  0.5000  0.7808  1.0
  Co  Co2  4  0.2279  0.0000  0.8395  1.0
]