data_CoGe2Mo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.11
_cell_length_b   8.11
_cell_length_c   8.11
_cell_angle_alpha   20.5
_cell_angle_beta   20.5
_cell_angle_gamma   20.5
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoGe2Mo
_chemical_formula_sum   'Co1 Ge2 Mo1'
_cell_volume   57.33
_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
  Co  Co0  1  0.0  0.0  0.0  1.0
  Ge  Ge1  1  0.0  0.0  0.68  1.0
  Ge  Ge2  1  0.0  0.0  0.14  1.0
  Mo  Mo3  1  0.0  0.0  0.91  1.0

data_CoGe2Mo
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.0
_cell_length_b   2.89
_cell_length_c   8.11
_cell_angle_alpha   90.0
_cell_angle_beta   101.86
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   CoGe2Mo
_chemical_formula_sum   'Co2 Ge4 Mo2'
_cell_volume   114.67
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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
  Co  Co0  2  0.0  0.0  0.0  1.0
  Ge  Ge1  2  0.0  0.0  0.32  1.0
  Ge  Ge2  2  0.0  0.0  0.86  1.0
  Mo  Mo3  2  0.0  0.0  0.09  1.0

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