data_[Y4Tm4Hf4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Tm  1.2500  1.7500  1.0950
  Hf  1.3000  1.5500  0.8500
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.3073]
_cell_length_b [19.1614]
_cell_length_c [5.1758]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [YTmHf]
_chemical_formula_sum '[Y4 Tm4 Hf4]'
_cell_volume [327.9982]
_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  0.0000  0.2944  0.2500  1
  Tm  Tm1  4  0.0000  0.4588  0.2500  1
  Hf  Hf2  4  0.0000  0.1139  0.2500  1
]