data_[Mg6Ga4Cu8]
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
  Cu  1.9000  1.3500  0.8200
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [8.9952]
_cell_length_b [4.1761]
_cell_length_c [7.9370]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.9851]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Mg3(GaCu2)2]
_chemical_formula_sum '[Mg6 Ga4 Cu8]'
_cell_volume [295.2576]
_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  0.1176  0.5000  0.3898  1.0
  Mg  Mg1  2  0.0000  0.0000  0.0000  1.0
  Ga  Ga2  4  0.1971  0.5000  0.7643  1.0
  Cu  Cu3  4  0.0883  0.0000  0.6311  1.0
  Cu  Cu4  4  0.2209  0.5000  0.0840  1.0
]