data_[Mg6Ga14]
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 [C2/m]
_cell_length_a [15.5729]
_cell_length_b [4.2399]
_cell_length_c [5.8724]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.8335]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Mg3Ga7]
_chemical_formula_sum '[Mg6 Ga14]'
_cell_volume [378.0523]
_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  4  0.1949  0.0000  0.6027  1.0
  Mg  Mg1  2  0.0000  0.0000  0.0000  1.0
  Ga  Ga2  4  0.0992  0.5000  0.8049  1.0
  Ga  Ga3  4  0.1010  0.5000  0.3027  1.0
  Ga  Ga4  4  0.2025  0.0000  0.1019  1.0
  Ga  Ga5  2  0.0000  0.0000  0.5000  1.0
]