data_[Mg4Zn6Ga4]
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 [C2/m]
_cell_length_a [9.5813]
_cell_length_b [4.1178]
_cell_length_c [6.5797]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.6066]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Mg2Zn3Ga2]
_chemical_formula_sum '[Mg4 Zn6 Ga4]'
_cell_volume [256.6707]
_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  0.1125  0.5000  0.3230  1.0
  Zn  Zn1  4  0.2001  0.5000  0.8818  1.0
  Zn  Zn2  2  0.0000  0.0000  0.0000  1.0
  Ga  Ga3  4  0.1008  0.0000  0.6553  1.0
]