data_[Hf6Ti2Be4C2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  Ti  1.5400  1.4000  0.8517
  Be  1.5700  1.0500  0.5900
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.1039]
_cell_length_b [4.2883]
_cell_length_c [13.0222]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Hf3TiBe2C]
_chemical_formula_sum '[Hf6 Ti2 Be4 C2]'
_cell_volume [229.1742]
_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  0.1744  1
  Hf  Hf1  2  0.0000  0.5000  0.0000  1
  Ti  Ti2  2  0.0000  0.5000  0.5000  1
  Be  Be3  4  0.0000  0.0000  0.3754  1
  C  C4  2  0.0000  0.0000  0.0000  1
]