data_Y4Mg2Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.46
_cell_length_b   6.46
_cell_length_c   6.46
_cell_angle_alpha   105.77
_cell_angle_beta   105.77
_cell_angle_gamma   117.16
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y4Mg2Cu
_chemical_formula_sum   'Y4 Mg2 Cu1'
_cell_volume   204.97
_cell_formula_units_Z   1
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  Y3  1  0.11  0.89  0.37  1.0
  Y  Y4  1  0.89  0.11  0.37  1.0
  Y  Y5  1  0.89  0.89  0.37  1.0
  Y  Y6  1  0.01  0.01  0.0  1.0
  Mg  Mg1  1  0.9  0.0  0.68  1.0
  Mg  Mg2  1  0.0  0.9  0.68  1.0
  Cu  Cu0  1  0.0  0.0  0.0  1.0

data_Y4Mg2Cu
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.74
_cell_length_b   11.03
_cell_length_c   6.46
_cell_angle_alpha   90.0
_cell_angle_beta   121.42
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Y4Mg2Cu
_chemical_formula_sum   'Y8 Mg4 Cu2'
_cell_volume   409.94
_cell_formula_units_Z   2
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  4  0.0  0.11  0.63  1.0
  Y  Y1  2  0.11  0.0  0.63  1.0
  Y  Y2  2  0.49  0.5  0.0  1.0
  Mg  Mg3  4  0.05  0.05  0.32  1.0
  Cu  Cu4  2  0.0  0.0  0.0  1.0

Y Y Y Y Mg Mg Cu