data_MnRePd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.14
_cell_length_b   6.14
_cell_length_c   6.14
_cell_angle_alpha   154.39
_cell_angle_beta   154.39
_cell_angle_gamma   36.53
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnRePd
_chemical_formula_sum   'Mn1 Re1 Pd1'
_cell_volume   43.12
_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  0.04  1.0
  Re  Re2  1  0.0  0.0  0.7  1.0
  Pd  Pd1  1  0.0  0.0  0.91  1.0

data_MnRePd
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.85
_cell_length_b   3.85
_cell_length_c   6.14
_cell_angle_alpha   90.0
_cell_angle_beta   108.26
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   MnRePd
_chemical_formula_sum   'Mn2 Re2 Pd2'
_cell_volume   86.25
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.96  1.0
  Re  Re1  2  0.0  0.0  0.3  1.0
  Pd  Pd2  2  0.0  0.0  0.09  1.0

Mn Re Pd
Mn Re Pd 0 2 o o - 1 2 o o o 