data_[Y21Mg6Cu9]
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 [R-3m]
_cell_length_a [6.3391]
_cell_length_b [6.3391]
_cell_length_c [33.7717]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Y7Mg2Cu3]
_chemical_formula_sum '[Y21 Mg6 Cu9]'
_cell_volume [1175.2879]
_cell_formula_units_Z [3]
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  18  0.0009  0.5004  0.0780  1
  Y  Y1  3  -0.0000  -0.0000  0.5000  1
  Mg  Mg2  6  0.0000  0.0000  0.3333  1
  Cu  Cu3  6  0.0000  0.0000  0.0753  1
  Cu  Cu4  3  0.0000  0.0000  0.0000  1
]