data_MnGe2Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.54
_cell_length_b   3.99
_cell_length_c   4.42
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnGe2Pd
_chemical_formula_sum   'Mn1 Ge2 Pd1'
_cell_volume   62.4
_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  0.0  0.0  0.0  1.0
  Ge  Ge0  1  0.77  1.0  0.0  1.0
  Ge  Ge1  1  0.77  0.0  0.21  1.0
  Pd  Pd3  1  0.0  1.0  0.21  1.0

data_MnGe2Pd
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.54
_cell_length_b   3.99
_cell_length_c   4.42
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   MnGe2Pd
_chemical_formula_sum   'Mn1 Ge2 Pd1'
_cell_volume   62.4
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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
  Ge  Ge1  1  0.77  0.0  -0.0  1.0
  Ge  Ge2  1  0.77  0.0  0.21  1.0
  Pd  Pd3  1  -0.0  0.0  0.21  1.0

Mn Ge Ge Pd
Mn Ge Ge Pd 0 1 - - o 0 3 o - o 1 2 o + o 2 3 + - o 