data_[Y4Tm4Re16]
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
  Re  1.9000  1.3500  0.7125
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [7.6780]
_cell_length_b [7.6780]
_cell_length_c [7.6780]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [216]
_chemical_formula_structural [YTmRe4]
_chemical_formula_sum '[Y4 Tm4 Re16]'
_cell_volume [452.6375]
_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  0.2500  0.2500  1.0
  Tm  Tm1  4  0.0000  0.0000  0.0000  1.0
  Re  Re2  16  0.1251  0.1251  0.6251  1.0
]