data_Mg4Zn2Cu3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.37
_cell_length_b   7.37
_cell_length_c   6.94
_cell_angle_alpha   106.35
_cell_angle_beta   106.35
_cell_angle_gamma   24.47
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg4Zn2Cu3
_chemical_formula_sum   'Mg4 Zn2 Cu3'
_cell_volume   149.37
_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
  Mg  Mg3  1  0.0  0.0  0.97  1.0
  Mg  Mg4  1  0.4  0.0  0.67  1.0
  Mg  Mg5  1  0.46  0.0  0.24  1.0
  Mg  Mg6  1  0.94  0.0  0.4  1.0
  Zn  Zn7  1  0.21  0.0  0.19  1.0
  Zn  Zn8  1  0.19  0.0  0.46  1.0
  Cu  Cu0  1  0.93  0.0  0.44  1.0
  Cu  Cu1  1  0.47  0.0  0.2  1.0
  Cu  Cu2  1  0.0  0.0  0.0  1.0

data_Mg4Zn2Cu3
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.12
_cell_length_b   6.94
_cell_length_c   7.37
_cell_angle_alpha   106.35
_cell_angle_beta   102.24
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg4Zn2Cu3
_chemical_formula_sum   'Mg4 Zn2 Cu3'
_cell_volume   149.37
_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
  Mg  Mg0  1  0.0  0.24  0.46  1.0
  Mg  Mg1  1  0.0  0.4  0.94  1.0
  Mg  Mg2  1  0.0  0.67  0.4  1.0
  Mg  Mg3  1  0.0  0.97  0.0  1.0
  Zn  Zn4  1  0.0  0.19  0.21  1.0
  Zn  Zn5  1  0.0  0.46  0.19  1.0
  Cu  Cu6  1  0.0  0.0  0.0  1.0
  Cu  Cu7  1  0.0  0.2  0.47  1.0
  Cu  Cu8  1  0.0  0.44  0.93  1.0

Mg Mg Mg Mg Zn Zn Cu Cu Cu