data_[Y2Mg12Cu12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Mg  1.3100  1.5000  0.8600
  Cu  1.9000  1.3500  0.8200
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [5.2465]
_cell_length_b [9.1193]
_cell_length_c [9.2071]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Y(MgCu)6]
_chemical_formula_sum '[Y2 Mg12 Cu12]'
_cell_volume [440.5127]
_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
[
  Y  Y0  2  0.0000  0.0000  0.0000  1
  Mg  Mg1  4  0.0000  0.0000  0.3457  1
  Mg  Mg2  4  0.0000  0.3377  0.0000  1
  Mg  Mg3  4  0.0000  0.5000  0.3113  1
  Cu  Cu4  8  0.2500  0.2500  0.2500  1
  Cu  Cu5  4  0.0000  0.2704  0.5000  1
]