data_[Mg10Ga2]
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 [11.8764]
_cell_length_b [3.1103]
_cell_length_c [7.2286]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.4570]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Mg5Ga]
_chemical_formula_sum '[Mg10 Ga2]'
_cell_volume [259.6899]
_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  0.0531  0.0000  0.6057  1.0
  Mg  Mg1  2  0.1688  0.5000  0.3316  1.0
  Mg  Mg2  2  0.2240  0.5000  0.9485  1.0
  Mg  Mg3  2  0.3328  0.0000  0.6640  1.0
  Mg  Mg4  2  0.4981  0.5000  0.0041  1.0
  Ga  Ga5  2  0.3899  0.0000  0.2795  1.0
]