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 [Pmc2_1]
_cell_length_a [3.5260]
_cell_length_b [10.1217]
_cell_length_c [7.5544]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [26]
_chemical_formula_structural [YMgCu]
_chemical_formula_sum '[Y4 Mg4 Cu4]'
_cell_volume [269.6119]
_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  2  0.0000  0.1296  0.1458  1
  Y  Y1  2  0.0000  0.4538  0.5411  1
  Mg  Mg2  2  0.5000  0.1660  0.5256  1
  Mg  Mg3  2  0.5000  0.3156  0.8684  1
  Cu  Cu4  2  0.5000  0.0546  0.8460  1
  Cu  Cu5  2  0.5000  0.3659  0.2473  1
]