data_CaGe2Mo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.03
_cell_length_b   5.03
_cell_length_c   5.03
_cell_angle_alpha   134.9
_cell_angle_beta   120.78
_cell_angle_gamma   77.43
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaGe2Mo
_chemical_formula_sum   'Ca1 Ge2 Mo1'
_cell_volume   75.36
_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
  Ca  Ca0  1  0.0  0.0  0.0  1.0
  Ge  Ge1  1  0.0  0.49  0.84  1.0
  Ge  Ge2  1  0.93  0.0  0.09  1.0
  Mo  Mo3  1  0.0  0.0  0.93  1.0

data_CaGe2Mo
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.86
_cell_length_b   4.97
_cell_length_c   5.03
_cell_angle_alpha   119.61
_cell_angle_beta   112.55
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaGe2Mo
_chemical_formula_sum   'Ca1 Ge2 Mo1'
_cell_volume   75.36
_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
  Ca  Ca0  1  0.0  0.0  0.0  1.0
  Ge  Ge1  1  0.0  0.09  0.16  1.0
  Ge  Ge2  1  0.51  0.35  0.35  1.0
  Mo  Mo3  1  0.0  0.93  0.93  1.0

Ca Ge Ge Mo