data_[Mg3Zn4Ga4]
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 [P-1]
_cell_length_a [3.2374]
_cell_length_b [4.4085]
_cell_length_c [14.0357]
_cell_angle_alpha [83.8212]
_cell_angle_beta [86.6553]
_cell_angle_gamma [89.6771]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Mg3(ZnGa)4]
_chemical_formula_sum '[Mg3 Zn4 Ga4]'
_cell_volume [198.8160]
_cell_formula_units_Z [1]
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  0.1368  0.6412  0.7205  1.0
  Mg  Mg1  1  0.0000  0.0000  0.0000  1.0
  Zn  Zn2  2  0.2623  0.2672  0.4713  1.0
  Zn  Zn3  2  0.4029  0.9125  0.1840  1.0
  Ga  Ga4  2  0.3093  0.8127  0.3682  1.0
  Ga  Ga5  2  0.4467  0.4472  0.0935  1.0
]