data_MnGePd2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.54
_cell_length_b   4.54
_cell_length_c   4.83
_cell_angle_alpha   101.11
_cell_angle_beta   101.11
_cell_angle_gamma   39.02
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnGePd2
_chemical_formula_sum   'Mn1 Ge1 Pd2'
_cell_volume   61.41
_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  Mn1  1  0.0  0.0  0.0  1.0
  Ge  Ge0  1  0.79  0.0  0.36  1.0
  Pd  Pd2  1  0.41  0.0  0.54  1.0
  Pd  Pd3  1  0.17  0.0  0.18  1.0

data_MnGePd2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.03
_cell_length_b   4.54
_cell_length_c   4.83
_cell_angle_alpha   101.11
_cell_angle_beta   90.0
_cell_angle_gamma   109.51
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnGePd2
_chemical_formula_sum   'Mn1 Ge1 Pd2'
_cell_volume   61.41
_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
  Ge  Ge1  1  0.0  0.21  0.64  1.0
  Pd  Pd2  1  0.0  0.59  0.46  1.0
  Pd  Pd3  1  0.0  0.83  0.82  1.0

Mn Ge Pd Pd