data_YMgCu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.1
_cell_length_b   11.03
_cell_length_c   7.73
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YMgCu
_chemical_formula_sum   'Y4 Mg4 Cu4'
_cell_volume   264.15
_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  Y8  1  0.0  0.3  0.31  1.0
  Y  Y9  1  0.0  0.73  0.17  1.0
  Y  Y10  1  0.0  0.39  0.28  1.0
  Y  Y11  1  0.0  0.64  0.14  1.0
  Mg  Mg4  1  0.0  0.72  0.37  1.0
  Mg  Mg5  1  0.0  0.31  0.5  1.0
  Mg  Mg6  1  0.0  0.77  0.38  1.0
  Mg  Mg7  1  0.0  0.26  0.24  1.0
  Cu  Cu0  1  0.55  0.23  0.66  1.0
  Cu  Cu1  1  0.55  0.8  0.52  1.0
  Cu  Cu2  1  0.55  0.63  0.82  1.0
  Cu  Cu3  1  0.55  0.4  0.68  1.0

data_YMgCu
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.1
_cell_length_b   7.73
_cell_length_c   11.03
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YMgCu
_chemical_formula_sum   'Y4 Mg4 Cu4'
_cell_volume   264.15
_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  1  0.0  0.69  0.7  1.0
  Y  Y1  1  0.0  0.72  0.61  1.0
  Y  Y2  1  0.0  0.83  0.27  1.0
  Y  Y3  1  0.0  0.86  0.36  1.0
  Mg  Mg4  1  0.0  0.5  0.69  1.0
  Mg  Mg5  1  0.0  0.62  0.23  1.0
  Mg  Mg6  1  0.0  0.63  0.28  1.0
  Mg  Mg7  1  0.0  0.76  0.74  1.0
  Cu  Cu8  1  0.45  0.18  0.37  1.0
  Cu  Cu9  1  0.45  0.32  0.6  1.0
  Cu  Cu10  1  0.45  0.34  0.77  1.0
  Cu  Cu11  1  0.45  0.48  0.2  1.0

Y Y Y Y Mg Mg Mg Mg Cu Cu Cu Cu