data_Mn2NiPd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.46
_cell_length_b   4.46
_cell_length_c   4.55
_cell_angle_alpha   100.9
_cell_angle_beta   100.9
_cell_angle_gamma   34.41
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2NiPd
_chemical_formula_sum   'Mn2 Ni1 Pd1'
_cell_volume   50.1
_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  0.56  0.0  0.42  1.0
  Mn  Mn1  1  0.48  0.0  0.33  1.0
  Ni  Ni2  1  0.84  0.0  0.31  1.0
  Pd  Pd3  1  0.16  0.0  0.09  1.0

data_Mn2NiPd
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.64
_cell_length_b   4.46
_cell_length_c   4.55
_cell_angle_alpha   100.9
_cell_angle_beta   90.0
_cell_angle_gamma   107.2
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2NiPd
_chemical_formula_sum   'Mn2 Ni1 Pd1'
_cell_volume   50.1
_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  0.44  0.58  1.0
  Mn  Mn1  1  0.0  0.52  0.67  1.0
  Ni  Ni2  1  0.0  0.16  0.69  1.0
  Pd  Pd3  1  0.0  0.84  0.91  1.0

Mn Mn Ni Pd
Mn Mn Ni Pd 0 1 o o o 0 2 o o o 1 2 o o o 1 3 o o o 2 3 + o o 