data_TaGeMo2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.19
_cell_length_b   5.19
_cell_length_c   5.19
_cell_angle_alpha   142.83
_cell_angle_beta   129.14
_cell_angle_gamma   64.66
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaGeMo2
_chemical_formula_sum   'Ta1 Ge1 Mo2'
_cell_volume   64.73
_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
  Ta  Ta3  1  0.0  0.0  0.39  1.0
  Ge  Ge0  1  0.0  0.0  0.0  1.0
  Mo  Mo1  1  0.0  0.23  0.16  1.0
  Mo  Mo2  1  0.65  0.0  0.23  1.0

data_TaGeMo2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.31
_cell_length_b   4.46
_cell_length_c   5.19
_cell_angle_alpha   115.43
_cell_angle_beta   108.58
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaGeMo2
_chemical_formula_sum   'Ta1 Ge1 Mo2'
_cell_volume   64.73
_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
  Ta  Ta0  1  0.0  0.39  0.39  1.0
  Ge  Ge1  1  0.0  0.0  0.0  1.0
  Mo  Mo2  1  0.0  0.23  0.57  1.0
  Mo  Mo3  1  0.77  0.93  0.93  1.0

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