data_MnZn2Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.65
_cell_length_b   4.65
_cell_length_c   4.67
_cell_angle_alpha   100.9
_cell_angle_beta   100.9
_cell_angle_gamma   36.32
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnZn2Pd
_chemical_formula_sum   'Mn1 Zn2 Pd1'
_cell_volume   58.68
_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
  Mn  Mn0  1  0.0  0.0  0.0  1.0
  Zn  Zn2  1  0.51  0.0  0.43  1.0
  Zn  Zn3  1  0.4  0.0  0.15  1.0
  Pd  Pd1  1  0.95  0.0  0.29  1.0

data_MnZn2Pd
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.9
_cell_length_b   4.65
_cell_length_c   4.67
_cell_angle_alpha   100.9
_cell_angle_beta   90.0
_cell_angle_gamma   108.16
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnZn2Pd
_chemical_formula_sum   'Mn1 Zn2 Pd1'
_cell_volume   58.68
_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
  Mn  Mn0  1  0.0  0.0  0.0  1.0
  Zn  Zn1  1  0.0  0.49  0.57  1.0
  Zn  Zn2  1  0.0  0.6  0.85  1.0
  Pd  Pd3  1  0.0  0.05  0.71  1.0

Mn Zn Zn Pd
Mn Zn Zn Pd 0 3 - o o 1 2 o o o 