data_[Y4Mg4Cu4]
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 [C2/m]
_cell_length_a [10.3640]
_cell_length_b [3.9347]
_cell_length_c [7.6081]
_cell_angle_alpha [90.0000]
_cell_angle_beta [122.5469]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [YMgCu]
_chemical_formula_sum '[Y4 Mg4 Cu4]'
_cell_volume [261.5301]
_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  0.0757  0.5000  0.3376  1.0
  Mg  Mg1  4  0.1772  0.0000  0.0753  1.0
  Cu  Cu2  4  0.1350  0.0000  0.6656  1.0
]