data_Mn2SbPd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.07
_cell_length_b   5.07
_cell_length_c   4.11
_cell_angle_alpha   111.85
_cell_angle_beta   111.85
_cell_angle_gamma   42.71
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2SbPd
_chemical_formula_sum   'Mn2 Sb1 Pd1'
_cell_volume   65.72
_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  0.43  0.0  0.03  1.0
  Mn  Mn1  1  0.7  0.0  0.91  1.0
  Sb  Sb3  1  0.12  0.0  0.81  1.0
  Pd  Pd2  1  0.9  0.0  0.9  1.0

data_Mn2SbPd
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.69
_cell_length_b   4.11
_cell_length_c   5.07
_cell_angle_alpha   111.85
_cell_angle_beta   111.36
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2SbPd
_chemical_formula_sum   'Mn2 Sb1 Pd1'
_cell_volume   65.72
_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  0.03  0.43  1.0
  Mn  Mn1  1  0.0  0.91  0.7  1.0
  Sb  Sb2  1  0.0  0.81  0.12  1.0
  Pd  Pd3  1  0.0  0.9  0.9  1.0

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