data_MgZn2Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.96
_cell_length_b   4.96
_cell_length_c   4.96
_cell_angle_alpha   136.04
_cell_angle_beta   131.88
_cell_angle_gamma   67.21
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgZn2Pd
_chemical_formula_sum   'Mg1 Zn2 Pd1'
_cell_volume   62.18
_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  0.14  1.0
  Zn  Zn2  1  0.0  0.0  0.01  1.0
  Zn  Zn3  1  0.86  0.0  0.01  1.0
  Pd  Pd1  1  0.0  0.02  0.11  1.0

data_MgZn2Pd
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.72
_cell_length_b   4.05
_cell_length_c   4.96
_cell_angle_alpha   114.06
_cell_angle_beta   111.98
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgZn2Pd
_chemical_formula_sum   'Mg1 Zn2 Pd1'
_cell_volume   62.18
_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  0.86  0.86  0.86  1.0
  Zn  Zn1  1  0.85  0.99  0.85  1.0
  Zn  Zn2  1  0.99  0.99  0.99  1.0
  Pd  Pd3  1  0.89  0.91  0.91  1.0

Mg Zn Zn Pd