data_MnIr2Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.68
_cell_length_b   4.68
_cell_length_c   4.66
_cell_angle_alpha   99.77
_cell_angle_beta   99.77
_cell_angle_gamma   33.62
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnIr2Pd
_chemical_formula_sum   'Mn1 Ir2 Pd1'
_cell_volume   55.54
_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  Mn2  1  0.02  0.0  0.24  1.0
  Ir  Ir0  1  0.03  0.0  0.06  1.0
  Ir  Ir1  1  0.54  0.0  0.16  1.0
  Pd  Pd3  1  0.6  0.0  0.41  1.0

data_MnIr2Pd
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.71
_cell_length_b   4.66
_cell_length_c   4.68
_cell_angle_alpha   99.77
_cell_angle_beta   106.81
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnIr2Pd
_chemical_formula_sum   'Mn1 Ir2 Pd1'
_cell_volume   55.54
_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  0.24  0.02  1.0
  Ir  Ir1  1  0.0  0.06  0.03  1.0
  Ir  Ir2  1  0.0  0.16  0.54  1.0
  Pd  Pd3  1  0.0  0.41  0.6  1.0

Mn Ir Ir Pd
Mn Ir Ir Pd 0 1 o o o 2 3 o o o 