data_[Mg12Ga6Sn2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  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 [8.1032]
_cell_length_b [6.3716]
_cell_length_c [11.6452]
_cell_angle_alpha [90.0000]
_cell_angle_beta [133.7611]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Mg6Ga3Sn]
_chemical_formula_sum '[Mg12 Ga6 Sn2]'
_cell_volume [434.2396]
_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
[
  Mg  Mg0  4  0.1111  0.1076  0.4334  1
  Mg  Mg1  4  0.2718  0.6288  0.4361  1
  Mg  Mg2  4  0.4244  0.6982  0.2526  1
  Ga  Ga3  4  0.2425  0.1932  0.7594  1
  Ga  Ga4  2  0.5000  0.0000  0.5000  1
  Sn  Sn5  2  0.0000  0.0000  0.0000  1
]