data_ZnMo2W
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.63
_cell_length_b   9.63
_cell_length_c   9.63
_cell_angle_alpha   16.61
_cell_angle_beta   16.61
_cell_angle_gamma   16.61
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnMo2W
_chemical_formula_sum   'Zn1 Mo2 W1'
_cell_volume   63.66
_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  0.0  0.17  1.0
  Mo  Mo1  1  0.0  0.0  0.33  1.0
  W  W2  1  0.0  0.0  0.25  1.0

data_ZnMo2W
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.82
_cell_length_b   2.78
_cell_length_c   9.63
_cell_angle_alpha   90.0
_cell_angle_beta   99.6
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   ZnMo2W
_chemical_formula_sum   'Zn2 Mo4 W2'
_cell_volume   127.32
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.0  1.0
  Mo  Mo1  2  -0.0  0.0  0.67  1.0
  Mo  Mo2  2  -0.0  0.0  0.83  1.0
  W  W3  2  -0.0  0.0  0.75  1.0

Zn Mo Mo W
Zn Mo Mo W 0 1 o o o 1 3 o o o 2 3 o o o 