data_GaGe2Mo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.94
_cell_length_b   4.94
_cell_length_c   4.83
_cell_angle_alpha   94.57
_cell_angle_beta   94.57
_cell_angle_gamma   34.07
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaGe2Mo
_chemical_formula_sum   'Ga1 Ge2 Mo1'
_cell_volume   65.7
_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
  Ga  Ga0  1  0.0  0.0  0.0  1.0
  Ge  Ge1  1  0.09  0.0  0.27  1.0
  Ge  Ge2  1  0.95  0.0  0.54  1.0
  Mo  Mo3  1  0.52  0.0  0.4  1.0

data_GaGe2Mo
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.89
_cell_length_b   4.83
_cell_length_c   4.94
_cell_angle_alpha   94.57
_cell_angle_beta   107.04
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaGe2Mo
_chemical_formula_sum   'Ga1 Ge2 Mo1'
_cell_volume   65.7
_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
  Ga  Ga0  1  0.0  0.0  0.0  1.0
  Ge  Ge1  1  0.0  0.27  0.09  1.0
  Ge  Ge2  1  0.0  0.54  0.95  1.0
  Mo  Mo3  1  0.0  0.4  0.52  1.0

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