data_ZnGeMo2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.86
_cell_length_b   4.86
_cell_length_c   4.73
_cell_angle_alpha   97.94
_cell_angle_beta   97.94
_cell_angle_gamma   33.77
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnGeMo2
_chemical_formula_sum   'Zn1 Ge1 Mo2'
_cell_volume   61.4
_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
  Zn  Zn3  1  0.31  0.0  0.3  1.0
  Ge  Ge0  1  0.82  0.0  0.54  1.0
  Mo  Mo1  1  0.59  0.0  0.64  1.0
  Mo  Mo2  1  0.82  0.0  0.23  1.0

data_ZnGeMo2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.82
_cell_length_b   4.73
_cell_length_c   4.86
_cell_angle_alpha   97.94
_cell_angle_beta   106.89
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnGeMo2
_chemical_formula_sum   'Zn1 Ge1 Mo2'
_cell_volume   61.4
_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
  Zn  Zn0  1  0.0  0.3  0.31  1.0
  Ge  Ge1  1  0.0  0.54  0.82  1.0
  Mo  Mo2  1  0.0  0.23  0.82  1.0
  Mo  Mo3  1  0.0  0.64  0.59  1.0

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