data_[Y4Mg3Cu1]
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 [P4/mmm]
_cell_length_a [3.6542]
_cell_length_b [3.6542]
_cell_length_c [15.4516]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [Y4Mg3Cu]
_chemical_formula_sum '[Y4 Mg3 Cu1]'
_cell_volume [206.3269]
_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  2  0.0000  0.0000  0.1071  1
  Y  Y1  2  0.0000  0.0000  0.3691  1
  Mg  Mg2  2  0.5000  0.5000  0.2406  1
  Mg  Mg3  1  0.5000  0.5000  0.5000  1
  Cu  Cu4  1  0.5000  0.5000  0.0000  1
]