data_[Y4Mg2Cu6]
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 [P-3m1]
_cell_length_a [4.7986]
_cell_length_b [4.7986]
_cell_length_c [11.7027]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [Y2MgCu3]
_chemical_formula_sum '[Y4 Mg2 Cu6]'
_cell_volume [233.3668]
_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  0.3333  0.6667  0.1803  1
  Y  Y1  1  0.0000  0.0000  0.0000  1
  Y  Y2  1  0.0000  0.0000  0.5000  1
  Mg  Mg3  2  0.3333  0.6667  0.6635  1
  Cu  Cu4  2  0.0000  0.0000  0.2535  1
  Cu  Cu5  2  0.3333  0.6667  0.4251  1
  Cu  Cu6  2  0.3333  0.6667  0.9171  1
]