data_ZrGe2Mo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.23
_cell_length_b   5.1
_cell_length_c   5.1
_cell_angle_alpha   39.13
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrGe2Mo
_chemical_formula_sum   'Zr1 Ge2 Mo1'
_cell_volume   69.62
_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
  Zr  Zr3  1  0.0  0.0  0.89  1.0
  Ge  Ge0  1  0.12  0.0  0.61  1.0
  Ge  Ge1  1  0.0  0.0  0.28  1.0
  Mo  Mo2  1  0.12  0.0  0.52  1.0

data_ZrGe2Mo
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.42
_cell_length_b   4.23
_cell_length_c   5.1
_cell_angle_alpha   90.0
_cell_angle_beta   109.56
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrGe2Mo
_chemical_formula_sum   'Zr1 Ge2 Mo1'
_cell_volume   69.62
_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
  Zr  Zr0  1  0.11  0.0  0.11  1.0
  Ge  Ge1  1  0.39  0.12  0.39  1.0
  Ge  Ge2  1  0.72  0.0  0.72  1.0
  Mo  Mo3  1  0.48  0.12  0.48  1.0

Zr Ge Ge Mo
Zr Ge Ge Mo 0 1 o o o 1 3 o o o 2 3 o o o 