data_[Ga4Ni12Sn20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ga  1.8100  1.3000  0.7600
  Ni  1.9100  1.3500  0.7400
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.9887]
_cell_length_b [8.6176]
_cell_length_c [9.2382]
_cell_angle_alpha [90.0000]
_cell_angle_beta [117.8033]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [GaNi3Sn5]
_chemical_formula_sum '[Ga4 Ni12 Sn20]'
_cell_volume [773.8288]
_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
[
  Ga  Ga0  4  0.0850  0.0000  0.3022  1.0
  Ni  Ni1  4  0.1668  0.5000  0.1740  1.0
  Ni  Ni2  4  0.1860  0.5000  0.6787  1.0
  Ni  Ni3  2  0.0000  0.0000  0.0000  1.0
  Ni  Ni4  2  0.0000  0.0000  0.5000  1.0
  Sn  Sn5  8  0.1678  0.2133  0.6563  1.0
  Sn  Sn6  4  0.0000  0.2886  0.0000  1.0
  Sn  Sn7  4  0.0643  0.5000  0.3642  1.0
  Sn  Sn8  4  0.2331  0.0000  0.0166  1.0
]