data_[Mg6Zn2Ga2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Zn  1.6500  1.3500  0.8800
  Ga  1.8100  1.3000  0.7600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [4.9323]
_cell_length_b [6.0117]
_cell_length_c [7.1783]
_cell_angle_alpha [91.3306]
_cell_angle_beta [109.9648]
_cell_angle_gamma [95.5339]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Mg3ZnGa]
_chemical_formula_sum '[Mg6 Zn2 Ga2]'
_cell_volume [198.7617]
_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  1  0.1357  0.4193  0.5703  1
  Mg  Mg1  1  0.2886  0.1583  0.9437  1
  Mg  Mg2  1  0.4035  0.6789  0.9924  1
  Mg  Mg3  1  0.6363  0.9906  0.3628  1
  Mg  Mg4  1  0.7843  0.7336  0.7422  1
  Mg  Mg5  1  0.9144  0.3969  0.1229  1
  Zn  Zn6  1  0.0080  0.8917  0.1595  1
  Zn  Zn7  1  0.6852  0.2379  0.7230  1
  Ga  Ga8  1  0.2321  0.9128  0.5749  1
  Ga  Ga9  1  0.5240  0.4568  0.3514  1
]