data_Mg7Zn2Cu3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.64
_cell_length_b   9.64
_cell_length_c   9.64
_cell_angle_alpha   33.22
_cell_angle_beta   33.22
_cell_angle_gamma   33.22
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg7Zn2Cu3
_chemical_formula_sum   'Mg7 Zn2 Cu3'
_cell_volume   239.11
_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  0.0  1.0
  Mg  Mg4  1  0.36  0.79  0.8  1.0
  Mg  Mg5  1  0.64  0.79  0.8  1.0
  Mg  Mg6  1  0.0  0.43  0.8  1.0
  Mg  Mg7  1  0.64  0.21  0.49  1.0
  Mg  Mg8  1  0.0  0.57  0.49  1.0
  Mg  Mg9  1  0.36  0.21  0.49  1.0
  Zn  Zn10  1  0.0  0.0  0.74  1.0
  Zn  Zn11  1  0.0  0.0  0.55  1.0
  Cu  Cu0  1  0.0  0.0  0.65  1.0
  Cu  Cu1  1  0.0  0.0  0.03  1.0
  Cu  Cu2  1  0.0  0.0  0.26  1.0

data_Mg7Zn2Cu3
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.51
_cell_length_b   5.51
_cell_length_c   9.64
_cell_angle_alpha   73.39
_cell_angle_beta   73.39
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg7Zn2Cu3
_chemical_formula_sum   'Mg7 Zn2 Cu3'
_cell_volume   239.11
_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  0.0  0.0  1.0
  Mg  Mg1  1  0.21  0.2  0.23  1.0
  Mg  Mg2  1  0.21  0.2  0.95  1.0
  Mg  Mg3  1  0.43  0.51  0.06  1.0
  Mg  Mg4  1  0.57  0.2  0.23  1.0
  Mg  Mg5  1  0.79  0.51  0.06  1.0
  Mg  Mg6  1  0.79  0.51  0.34  1.0
  Zn  Zn7  1  0.0  0.26  0.74  1.0
  Zn  Zn8  1  0.0  0.45  0.55  1.0
  Cu  Cu9  1  0.0  0.35  0.65  1.0
  Cu  Cu10  1  0.0  0.74  0.26  1.0
  Cu  Cu11  1  0.0  0.97  0.03  1.0

Mg Mg Mg Mg Mg Mg Mg Zn Zn Cu Cu Cu