data_Zn5Mo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.6
_cell_length_b   7.28
_cell_length_c   7.28
_cell_angle_alpha   21.73
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zn5Mo
_chemical_formula_sum   'Zn5 Mo1'
_cell_volume   90.27
_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  Zn1  1  0.0  0.0  0.16  1.0
  Zn  Zn2  1  0.3  0.0  0.78  1.0
  Zn  Zn3  1  0.0  0.0  0.9  1.0
  Zn  Zn4  1  0.3  0.0  0.55  1.0
  Zn  Zn5  1  0.0  0.0  0.75  1.0
  Mo  Mo0  1  0.3  0.0  0.3  1.0

data_Zn5Mo
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.75
_cell_length_b   4.6
_cell_length_c   7.28
_cell_angle_alpha   90.0
_cell_angle_beta   100.87
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zn5Mo
_chemical_formula_sum   'Zn5 Mo1'
_cell_volume   90.27
_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  0.1  0.0  0.1  1.0
  Zn  Zn1  1  0.22  0.3  0.22  1.0
  Zn  Zn2  1  0.25  0.0  0.25  1.0
  Zn  Zn3  1  0.45  0.3  0.45  1.0
  Zn  Zn4  1  0.84  0.0  0.84  1.0
  Mo  Mo5  1  0.7  0.3  0.7  1.0

Zn Zn Zn Zn Zn Mo
Zn Zn Zn Zn Zn Mo 0 2 o o - 0 5 o o o 1 4 o o o 1 2 o o o 1 3 o o o 2 4 o o o 3 4 o o o 3 5 o o o 