data_Y2Mg4Cu3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.96
_cell_length_b   7.96
_cell_length_c   7.53
_cell_angle_alpha   98.87
_cell_angle_beta   98.87
_cell_angle_gamma   23.14
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y2Mg4Cu3
_chemical_formula_sum   'Y2 Mg4 Cu3'
_cell_volume   185.15
_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  Y7  1  0.96  0.0  0.05  1.0
  Y  Y8  1  0.45  0.0  0.38  1.0
  Mg  Mg3  1  0.36  0.0  0.97  1.0
  Mg  Mg4  1  0.04  0.0  0.47  1.0
  Mg  Mg5  1  0.42  0.0  0.05  1.0
  Mg  Mg6  1  0.99  0.0  0.39  1.0
  Cu  Cu0  1  0.24  0.0  0.9  1.0
  Cu  Cu1  1  0.17  0.0  0.53  1.0
  Cu  Cu2  1  0.0  0.0  0.0  1.0

data_Y2Mg4Cu3
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.19
_cell_length_b   7.53
_cell_length_c   7.96
_cell_angle_alpha   98.87
_cell_angle_beta   101.57
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y2Mg4Cu3
_chemical_formula_sum   'Y2 Mg4 Cu3'
_cell_volume   185.15
_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  Y0  1  0.0  0.05  0.96  1.0
  Y  Y1  1  0.0  0.38  0.45  1.0
  Mg  Mg2  1  0.0  0.05  0.42  1.0
  Mg  Mg3  1  0.0  0.39  0.99  1.0
  Mg  Mg4  1  0.0  0.47  0.04  1.0
  Mg  Mg5  1  0.0  0.97  0.36  1.0
  Cu  Cu6  1  0.0  0.0  0.0  1.0
  Cu  Cu7  1  0.0  0.53  0.17  1.0
  Cu  Cu8  1  0.0  0.9  0.24  1.0

Y Y Mg Mg Mg Mg Cu Cu Cu