data_[Y16Ga4Sn4]
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
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [9.0280]
_cell_length_b [13.6437]
_cell_length_c [6.2187]
_cell_angle_alpha [90.0000]
_cell_angle_beta [116.3988]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Y4GaSn]
_chemical_formula_sum '[Y16 Ga4 Sn4]'
_cell_volume [686.1125]
_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  0.1154  0.1803  0.5782  1.0
  Y  Y1  8  0.2059  0.4247  0.8185  1.0
  Ga  Ga2  4  0.0000  0.0001  0.2500  1.0
  Sn  Sn3  4  0.0000  0.3752  0.2500  1.0
]