data_MgZn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.78
_cell_length_b   7.75
_cell_length_c   7.75
_cell_angle_alpha   22.87
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgZn
_chemical_formula_sum   'Mg3 Zn3'
_cell_volume   111.8
_cell_formula_units_Z   3
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  0.39  0.0  0.13  1.0
  Mg  Mg1  1  0.0  0.0  0.27  1.0
  Mg  Mg2  1  0.0  0.0  0.55  1.0
  Zn  Zn3  1  0.39  0.0  0.11  1.0
  Zn  Zn4  1  0.39  0.0  0.14  1.0
  Zn  Zn5  1  0.0  0.0  0.52  1.0

data_MgZn
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.07
_cell_length_b   4.78
_cell_length_c   7.75
_cell_angle_alpha   90.0
_cell_angle_beta   101.44
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgZn
_chemical_formula_sum   'Mg3 Zn3'
_cell_volume   111.8
_cell_formula_units_Z   3
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  0.45  0.0  0.45  1.0
  Mg  Mg1  1  0.73  0.0  0.73  1.0
  Mg  Mg2  1  0.87  0.39  0.87  1.0
  Zn  Zn3  1  0.48  0.0  0.48  1.0
  Zn  Zn4  1  0.86  0.39  0.86  1.0
  Zn  Zn5  1  0.89  0.39  0.89  1.0

Mg Mg Mg Zn Zn Zn