data_YMgCu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.87
_cell_length_b   3.87
_cell_length_c   10.42
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YMgCu2
_chemical_formula_sum   'Y2 Mg2 Cu4'
_cell_volume   156.15
_cell_formula_units_Z   2
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  Y6  1  0.0  0.94  0.19  1.0
  Y  Y7  1  0.94  0.0  0.23  1.0
  Mg  Mg4  1  0.0  0.94  0.68  1.0
  Mg  Mg5  1  0.94  0.0  0.74  1.0
  Cu  Cu0  1  0.0  0.94  0.39  1.0
  Cu  Cu1  1  0.94  0.0  0.03  1.0
  Cu  Cu2  1  0.0  0.0  0.0  1.0
  Cu  Cu3  1  0.94  0.94  0.0  1.0

data_YMgCu2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.48
_cell_length_b   5.48
_cell_length_c   10.42
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   YMgCu2
_chemical_formula_sum   'Y4 Mg4 Cu8'
_cell_volume   312.31
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  0.0  0.19  1.0
  Y  Y1  2  0.44  0.5  0.23  1.0
  Mg  Mg2  2  0.0  0.0  0.68  1.0
  Mg  Mg3  2  0.44  0.5  0.74  1.0
  Cu  Cu4  4  0.47  0.47  0.0  1.0
  Cu  Cu5  2  0.0  0.0  0.39  1.0
  Cu  Cu6  2  0.44  0.5  0.03  1.0

Y Y Mg Mg Cu Cu Cu Cu