data_[Hf4Zr6Co4]
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 [10.9680]
_cell_length_b [3.2530]
_cell_length_c [8.1218]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.5353]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Hf2Zr3Co2]
_chemical_formula_sum '[Hf4 Zr6 Co4]'
_cell_volume [269.5481]
_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
[
  Hf  Hf0  4  0.1637  0.0000  0.8141  1
  Zr  Zr1  4  0.1147  0.5000  0.4389  1
  Zr  Zr2  2  0.0000  0.5000  0.0000  1
  Co  Co3  4  0.1640  0.0000  0.2197  1
]