data_[Mg6Ga6]
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
]
_symmetry_space_group_name_H-M [Pmc2_1]
_cell_length_a [4.9449]
_cell_length_b [9.0928]
_cell_length_c [5.2196]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [26]
_chemical_formula_structural [MgGa]
_chemical_formula_sum '[Mg6 Ga6]'
_cell_volume [234.6875]
_cell_formula_units_Z [6]
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  0.0000  0.0863  0.4797  1
  Mg  Mg1  2  0.0000  0.4158  0.5042  1
  Mg  Mg2  2  0.5000  0.0981  0.8408  1
  Ga  Ga3  2  0.0000  0.2547  0.9986  1
  Ga  Ga4  2  0.5000  0.2464  0.3363  1
  Ga  Ga5  2  0.5000  0.4213  0.8404  1
]