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 [P2_1/c]
_cell_length_a [6.7707]
_cell_length_b [5.5292]
_cell_length_c [7.4664]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.0765]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [YMgCu]
_chemical_formula_sum '[Y4 Mg4 Cu4]'
_cell_volume [264.1656]
_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  0.3398  0.1150  0.1347  1.0
  Mg  Mg1  4  0.0753  0.6147  0.2007  1.0
  Cu  Cu2  4  0.3288  0.6110  0.9844  1.0
]