data_[Zr12Ga6Sn2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  Ga  1.8100  1.3000  0.7600
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [7.5238]
_cell_length_b [7.1206]
_cell_length_c [10.9704]
_cell_angle_alpha [90.0000]
_cell_angle_beta [131.6676]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Zr6Ga3Sn]
_chemical_formula_sum '[Zr12 Ga6 Sn2]'
_cell_volume [439.0382]
_cell_formula_units_Z [2]
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
[
  Zr  Zr0  4  0.1014  0.1425  0.4364  1
  Zr  Zr1  4  0.2816  0.6644  0.4349  1
  Zr  Zr2  4  0.4702  0.6056  0.2454  1
  Ga  Ga3  4  0.2110  0.1721  0.7573  1
  Ga  Ga4  2  0.5000  0.0000  0.5000  1
  Sn  Sn5  2  0.0000  0.0000  0.0000  1
]