data_[Y16Ga4Fe4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Ga  1.8100  1.3000  0.7600
  Fe  1.8300  1.4000  0.8525
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [8.4567]
_cell_length_b [12.3999]
_cell_length_c [6.1058]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.2196]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Y4GaFe]
_chemical_formula_sum '[Y16 Ga4 Fe4]'
_cell_volume [614.7840]
_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  8  0.1055  0.1665  0.0399  1
  Y  Y1  8  0.2090  0.4216  0.4077  1
  Ga  Ga2  4  0.0000  0.3739  0.7500  1
  Fe  Fe3  4  0.0000  0.0014  0.2500  1
]