data_[Hf6Co1Se2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  Co  1.8800  1.3500  0.7683
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P-62m]
_cell_length_a [7.4863]
_cell_length_b [7.4863]
_cell_length_c [3.4753]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [189]
_chemical_formula_structural [Hf6CoSe2]
_chemical_formula_sum '[Hf6 Co1 Se2]'
_cell_volume [168.6803]
_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  3  0.0000  0.2456  0.5000  1.0
  Hf  Hf1  3  0.0000  0.5893  0.0000  1.0
  Co  Co2  1  0.0000  0.0000  0.0000  1.0
  Se  Se3  2  0.3333  0.6667  0.5000  1.0
]