data_Ge2MoPd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.03
_cell_length_b   5.03
_cell_length_c   4.42
_cell_angle_alpha   104.89
_cell_angle_beta   104.89
_cell_angle_gamma   35.57
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ge2MoPd
_chemical_formula_sum   'Ge2 Mo1 Pd1'
_cell_volume   62.7
_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
  Ge  Ge0  1  0.92  0.0  0.98  1.0
  Ge  Ge1  1  0.81  0.0  0.39  1.0
  Mo  Mo2  1  0.18  0.0  0.8  1.0
  Pd  Pd3  1  0.47  0.0  0.48  1.0

data_Ge2MoPd
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.07
_cell_length_b   4.42
_cell_length_c   5.03
_cell_angle_alpha   104.89
_cell_angle_beta   107.79
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ge2MoPd
_chemical_formula_sum   'Ge2 Mo1 Pd1'
_cell_volume   62.7
_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
  Ge  Ge0  1  0.0  0.39  0.81  1.0
  Ge  Ge1  1  0.0  0.98  0.92  1.0
  Mo  Mo2  1  0.0  0.8  0.18  1.0
  Pd  Pd3  1  0.0  0.48  0.47  1.0

Ge Ge Mo Pd