data_[Y3Mg3Tl1Ga1Cu1]
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
  Tl  1.6200  1.9000  1.3325
  Ga  1.8100  1.3000  0.7600
  Cu  1.9000  1.3500  0.8200
]
_symmetry_space_group_name_H-M [P-6]
_cell_length_a [7.4617]
_cell_length_b [7.4617]
_cell_length_c [4.3473]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [174]
_chemical_formula_structural [Y3Mg3TlGaCu]
_chemical_formula_sum '[Y3 Mg3 Tl1 Ga1 Cu1]'
_cell_volume [209.6178]
_cell_formula_units_Z [1]
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  3  0.0149  0.5973  0.0000  1
  Mg  Mg1  3  0.0041  0.2395  0.5000  1
  Tl  Tl2  1  0.6667  0.3333  0.5000  1
  Ga  Ga3  1  0.3333  0.6667  0.5000  1
  Cu  Cu4  1  0.0000  0.0000  0.0000  1
]