data_MnNbPd2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.88
_cell_length_b   4.88
_cell_length_c   4.56
_cell_angle_alpha   101.43
_cell_angle_beta   101.43
_cell_angle_gamma   34.48
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnNbPd2
_chemical_formula_sum   'Mn1 Nb1 Pd2'
_cell_volume   60.11
_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
  Nb  Nb1  1  0.19  0.0  0.23  1.0
  Pd  Pd2  1  0.68  0.0  0.08  1.0
  Pd  Pd3  1  0.7  0.0  0.38  1.0

data_MnNbPd2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.89
_cell_length_b   4.56
_cell_length_c   4.88
_cell_angle_alpha   101.43
_cell_angle_beta   107.24
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnNbPd2
_chemical_formula_sum   'Mn1 Nb1 Pd2'
_cell_volume   60.11
_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
  Nb  Nb1  1  0.0  0.23  0.19  1.0
  Pd  Pd2  1  0.0  0.08  0.68  1.0
  Pd  Pd3  1  0.0  0.38  0.7  1.0

Mn Nb Pd Pd
Mn Nb Pd Pd 0 1 o o o 2 3 o o o 