data_Zn2CrW
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.66
_cell_length_b   4.66
_cell_length_c   4.89
_cell_angle_alpha   95.42
_cell_angle_beta   95.42
_cell_angle_gamma   32.46
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zn2CrW
_chemical_formula_sum   'Zn2 Cr1 W1'
_cell_volume   56.68
_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  Zn2  1  0.46  0.0  0.79  1.0
  Zn  Zn3  1  0.85  0.0  0.71  1.0
  Cr  Cr0  1  0.28  0.0  0.36  1.0
  W  W1  1  0.57  0.0  0.31  1.0

data_Zn2CrW
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.6
_cell_length_b   4.66
_cell_length_c   4.89
_cell_angle_alpha   95.42
_cell_angle_beta   90.0
_cell_angle_gamma   106.23
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zn2CrW
_chemical_formula_sum   'Zn2 Cr1 W1'
_cell_volume   56.68
_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  0.15  0.29  1.0
  Zn  Zn1  1  0.0  0.54  0.21  1.0
  Cr  Cr2  1  0.0  0.72  0.64  1.0
  W  W3  1  0.0  0.43  0.69  1.0

Zn Zn Cr W
Zn Zn Cr W 0 2 o o o 0 1 o o o 1 3 o o o 2 3 o o o 