data_[Mg2In12Cu12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  In  1.7800  1.5500  0.9400
  Cu  1.9000  1.3500  0.8200
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [5.4809]
_cell_length_b [9.2019]
_cell_length_c [9.2769]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Mg(InCu)6]
_chemical_formula_sum '[Mg2 In12 Cu12]'
_cell_volume [467.8759]
_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  2  0.0000  0.0000  0.0000  1
  In  In1  4  0.0000  0.0000  0.3355  1
  In  In2  4  0.0000  0.3348  0.0000  1
  In  In3  4  0.0000  0.5000  0.3290  1
  Cu  Cu4  8  0.2500  0.2500  0.2500  1
  Cu  Cu5  4  0.0000  0.2529  0.5000  1
]