data_[Mg12Tl2Ga6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Tl  1.6200  1.9000  1.3325
  Ga  1.8100  1.3000  0.7600
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [9.3654]
_cell_length_b [4.4738]
_cell_length_c [10.0749]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.3276]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Mg6TlGa3]
_chemical_formula_sum '[Mg12 Tl2 Ga6]'
_cell_volume [420.9244]
_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  2  0.0636  0.7500  0.9106  1
  Mg  Mg1  2  0.1605  0.7500  0.2050  1
  Mg  Mg2  2  0.1726  0.2500  0.7236  1
  Mg  Mg3  2  0.2740  0.7500  0.5194  1
  Mg  Mg4  2  0.3775  0.2500  0.3114  1
  Mg  Mg5  2  0.4636  0.7500  0.0988  1
  Tl  Tl6  2  0.0561  0.2500  0.3912  1
  Ga  Ga7  2  0.2481  0.2500  0.0265  1
  Ga  Ga8  2  0.3501  0.7500  0.8158  1
  Ga  Ga9  2  0.4502  0.2500  0.6086  1
]