data_YMgCu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.42
_cell_length_b   13.15
_cell_length_c   4.94
_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   287.24
_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  0.78  0.54  1.0
  Y  Y9  1  0.21  0.79  0.4  1.0
  Y  Y10  1  0.21  0.36  0.4  1.0
  Y  Y11  1  0.0  0.37  0.54  1.0
  Mg  Mg4  1  0.0  0.53  0.07  1.0
  Mg  Mg5  1  0.21  0.04  0.87  1.0
  Mg  Mg6  1  0.21  0.11  0.87  1.0
  Mg  Mg7  1  0.0  0.62  0.07  1.0
  Cu  Cu0  1  0.0  0.72  0.13  1.0
  Cu  Cu1  1  0.21  0.01  0.81  1.0
  Cu  Cu2  1  0.21  0.14  0.81  1.0
  Cu  Cu3  1  0.0  0.44  0.13  1.0

data_YMgCu
_symmetry_space_group_name_H-M   Pm
_cell_length_a   4.42
_cell_length_b   13.15
_cell_length_c   4.94
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   YMgCu
_chemical_formula_sum   'Y4 Mg4 Cu4'
_cell_volume   287.24
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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  -0.0  0.29  0.54  1.0
  Y  Y1  2  0.21  0.28  0.4  1.0
  Mg  Mg2  2  -0.0  0.46  0.07  1.0
  Mg  Mg3  2  0.21  0.03  0.87  1.0
  Cu  Cu4  2  -0.0  0.36  0.13  1.0
  Cu  Cu5  2  0.21  0.06  0.81  1.0

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