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 [Cm]
_cell_length_a [10.6257]
_cell_length_b [3.2058]
_cell_length_c [7.4070]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.3768]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [MgGa]
_chemical_formula_sum '[Mg6 Ga6]'
_cell_volume [239.4449]
_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  0.1263  0.5000  0.7333  1.0
  Mg  Mg1  2  0.1706  0.5000  0.3365  1.0
  Mg  Mg2  2  0.4751  0.5000  0.9878  1.0
  Ga  Ga3  2  0.2681  0.0000  0.0796  1.0
  Ga  Ga4  2  0.3424  0.0000  0.6469  1.0
  Ga  Ga5  2  0.4508  0.5000  0.3825  1.0
]