data_[Mg4Ga2Si2]
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
  Si  1.9000  1.1000  0.5400
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [5.2644]
_cell_length_b [3.9467]
_cell_length_c [7.8163]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.6887]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Mg2GaSi]
_chemical_formula_sum '[Mg4 Ga2 Si2]'
_cell_volume [157.0907]
_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  0.1979  0.2500  0.4287  1.0
  Mg  Mg1  2  0.2831  0.7500  0.0655  1.0
  Ga  Ga2  2  0.3789  0.7500  0.7098  1.0
  Si  Si3  2  0.1412  0.2500  0.7902  1.0
]