data_GeMo2Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.8
_cell_length_b   4.26
_cell_length_c   5.26
_cell_angle_alpha   90.0
_cell_angle_beta   97.19
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GeMo2Pd
_chemical_formula_sum   'Ge1 Mo2 Pd1'
_cell_volume   62.04
_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  0.0  0.0  1.0
  Mo  Mo1  1  0.09  0.13  0.24  1.0
  Mo  Mo2  1  0.05  0.13  0.98  1.0
  Pd  Pd3  1  0.67  0.0  0.61  1.0

data_GeMo2Pd
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.8
_cell_length_b   4.26
_cell_length_c   5.26
_cell_angle_alpha   90.0
_cell_angle_beta   97.19
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GeMo2Pd
_chemical_formula_sum   'Ge1 Mo2 Pd1'
_cell_volume   62.04
_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  0.0  0.0  1.0
  Mo  Mo1  1  0.05  0.13  0.98  1.0
  Mo  Mo2  1  0.09  0.13  0.24  1.0
  Pd  Pd3  1  0.67  0.0  0.61  1.0

Ge Mo Mo Pd
Ge Mo Mo Pd 0 2 o o - 0 1 o o o 0 3 - o - 1 2 o o - 1 3 o o o 1 3 - o o 2 3 - o o 