data_CaZnW2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.75
_cell_length_b   4.0
_cell_length_c   6.98
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaZnW2
_chemical_formula_sum   'Ca1 Zn1 W2'
_cell_volume   76.75
_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
  Ca  Ca0  1  0.0  0.0  0.16  1.0
  Zn  Zn3  1  0.37  0.0  0.18  1.0
  W  W1  1  0.37  0.0  0.38  1.0
  W  W2  1  0.0  0.0  0.74  1.0

data_CaZnW2
_symmetry_space_group_name_H-M   Pm
_cell_length_a   2.75
_cell_length_b   4.0
_cell_length_c   6.98
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   CaZnW2
_chemical_formula_sum   'Ca1 Zn1 W2'
_cell_volume   76.75
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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
  Ca  Ca0  1  0.0  0.0  0.16  1.0
  Zn  Zn1  1  0.37  0.0  0.18  1.0
  W  W2  1  0.0  0.0  0.74  1.0
  W  W3  1  0.37  0.0  0.38  1.0

Ca Zn W W
Ca Zn W W 0 1 o o o 0 3 o o - 1 2 o o o 1 3 o o - 2 3 + o o 2 3 o o o 3 3 + o o 