data_[Hf10Mn2Co12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  Mn  1.5500  1.4000  0.6483
  Co  1.8800  1.3500  0.7683
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.3908]
_cell_length_b [6.2763]
_cell_length_c [13.2052]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Hf5MnCo6]
_chemical_formula_sum '[Hf10 Mn2 Co12]'
_cell_volume [363.9079]
_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  0.0000  0.0000  0.3301  1
  Hf  Hf1  4  0.0000  0.5000  0.3430  1
  Hf  Hf2  2  0.0000  0.5000  0.0000  1
  Mn  Mn3  2  0.0000  0.0000  0.0000  1
  Co  Co4  8  0.0000  0.2529  0.1669  1
  Co  Co5  4  0.0000  0.2426  0.5000  1
]