data_ZnMo2Os
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.29
_cell_length_b   4.23
_cell_length_c   4.3
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnMo2Os
_chemical_formula_sum   'Zn1 Mo2 Os1'
_cell_volume   59.99
_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  0.0  0.0  0.0  1.0
  Mo  Mo0  1  0.0  0.12  0.15  1.0
  Mo  Mo1  1  0.65  0.0  0.15  1.0
  Os  Os2  1  0.65  0.12  0.0  1.0

data_ZnMo2Os
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.29
_cell_length_b   4.23
_cell_length_c   4.3
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnMo2Os
_chemical_formula_sum   'Zn1 Mo2 Os1'
_cell_volume   59.99
_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  0.0  0.0  1.0
  Mo  Mo1  1  0.0  0.12  0.15  1.0
  Mo  Mo2  1  0.65  0.0  0.15  1.0
  Os  Os3  1  0.65  0.12  -0.0  1.0

Zn Mo Mo Os
Zn Mo Mo Os 0 1 o o o 2 3 o o o 