data_[Y4Mg8Cu16]
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 [I4/mcm]
_cell_length_a [7.6892]
_cell_length_b [7.6892]
_cell_length_c [8.2208]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [140]
_chemical_formula_structural [Y(MgCu2)2]
_chemical_formula_sum '[Y4 Mg8 Cu16]'
_cell_volume [486.0439]
_cell_formula_units_Z [4]
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  4  0.0000  0.0000  0.2500  1.0
  Mg  Mg1  8  0.1572  0.6572  0.0000  1.0
  Cu  Cu2  16  0.1417  0.3583  0.1704  1.0
]