data_[Mg9Zn24Ga3]
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 [R3m]
_cell_length_a [5.2496]
_cell_length_b [5.2496]
_cell_length_c [25.2785]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [Mg3Zn8Ga]
_chemical_formula_sum '[Mg9 Zn24 Ga3]'
_cell_volume [603.3021]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.0019  1.0
  Mg  Mg1  3  0.0000  0.0000  0.4981  1.0
  Mg  Mg2  3  0.0000  0.0000  0.6245  1.0
  Zn  Zn3  9  0.0003  0.5001  0.0622  1.0
  Zn  Zn4  9  0.0019  0.5010  0.5626  1.0
  Zn  Zn5  3  0.0000  0.0000  0.3123  1.0
  Zn  Zn6  3  0.0000  0.0000  0.8123  1.0
  Ga  Ga7  3  0.0000  0.0000  0.1264  1.0
]