data_MgZn2Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.93
_cell_length_b   4.93
_cell_length_c   4.93
_cell_angle_alpha   140.44
_cell_angle_beta   130.69
_cell_angle_gamma   64.98
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgZn2Ni
_chemical_formula_sum   'Mg1 Zn2 Ni1'
_cell_volume   57.16
_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
  Zn  Zn2  1  0.67  0.0  0.24  1.0
  Zn  Zn3  1  0.0  0.06  0.92  1.0
  Ni  Ni1  1  0.0  0.0  0.16  1.0

data_MgZn2Ni
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.34
_cell_length_b   4.12
_cell_length_c   4.93
_cell_angle_alpha   114.66
_cell_angle_beta   109.78
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgZn2Ni
_chemical_formula_sum   'Mg1 Zn2 Ni1'
_cell_volume   57.16
_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
  Zn  Zn1  1  0.08  0.14  0.14  1.0
  Zn  Zn2  1  0.43  0.76  0.43  1.0
  Ni  Ni3  1  0.84  0.84  0.84  1.0

Mg Zn Zn Ni