data_[Hf4Mg2Co4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  Mg  1.3100  1.5000  0.8600
  Co  1.8800  1.3500  0.7683
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [7.6160]
_cell_length_b [7.6160]
_cell_length_c [2.9317]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [127]
_chemical_formula_structural [Hf2MgCo2]
_chemical_formula_sum '[Hf4 Mg2 Co4]'
_cell_volume [170.0534]
_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  0.1459  0.3541  0.0000  1
  Mg  Mg1  2  0.0000  0.0000  0.0000  1
  Co  Co2  4  0.1463  0.6463  0.5000  1
]