data_[Y4Hf4Ta4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Hf  1.3000  1.5500  0.8500
  Ta  1.5000  1.4500  0.8200
]
_symmetry_space_group_name_H-M [Ama2]
_cell_length_a [4.9515]
_cell_length_b [5.2786]
_cell_length_c [10.9917]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [40]
_chemical_formula_structural [YHfTa]
_chemical_formula_sum '[Y4 Hf4 Ta4]'
_cell_volume [287.2917]
_cell_formula_units_Z [4]
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
[
  Y  Y0  4  0.2500  0.2234  0.8929  1
  Hf  Hf1  4  0.2500  0.1801  0.1963  1
  Ta  Ta2  4  0.2500  0.1621  0.5723  1
]