data_[Hf1Be8Co3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  Be  1.5700  1.0500  0.5900
  Co  1.8800  1.3500  0.7683
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [4.2812]
_cell_length_b [4.2812]
_cell_length_c [7.0724]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [156]
_chemical_formula_structural [HfBe8Co3]
_chemical_formula_sum '[Hf1 Be8 Co3]'
_cell_volume [112.2605]
_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  1  0.0000  0.0000  0.4396  1.0
  Be  Be1  3  0.1648  0.8352  0.7671  1.0
  Be  Be2  3  0.5035  0.0069  0.2259  1.0
  Be  Be3  1  0.3333  0.6667  0.5125  1.0
  Be  Be4  1  0.3333  0.6667  0.9961  1.0
  Co  Co5  1  0.0000  0.0000  0.0687  1.0
  Co  Co6  1  0.6667  0.3333  0.5650  1.0
  Co  Co7  1  0.6667  0.3333  0.9391  1.0
]