data_[Ta40Ga16Sn8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ta  1.5000  1.4500  0.8200
  Ga  1.8100  1.3000  0.7600
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [Fmmm]
_cell_length_a [5.1766]
_cell_length_b [14.7468]
_cell_length_c [14.8937]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [69]
_chemical_formula_structural [Ta5Ga2Sn]
_chemical_formula_sum '[Ta40 Ga16 Sn8]'
_cell_volume [1136.9540]
_cell_formula_units_Z [8]
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
[
  Ta  Ta0  16  0.0000  0.1070  0.3296  1.0
  Ta  Ta1  16  0.0000  0.1810  0.1017  1.0
  Ta  Ta2  8  0.2446  0.0000  0.5000  1.0
  Ga  Ga3  8  0.0000  0.1665  0.5000  1.0
  Ga  Ga4  8  0.2500  0.2500  0.2500  1.0
  Sn  Sn5  8  0.0000  0.0000  0.1701  1.0
]