data_CaW
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.71
_cell_length_b   2.89
_cell_length_c   6.6
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaW
_chemical_formula_sum   'Ca2 W2'
_cell_volume   89.8
_cell_formula_units_Z   2
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  0.18  0.0  0.22  1.0
  Ca  Ca1  1  0.54  0.0  0.37  1.0
  W  W2  1  0.18  0.44  0.0  1.0
  W  W3  1  0.54  0.44  0.59  1.0

data_CaW
_symmetry_space_group_name_H-M   P2
_cell_length_a   4.71
_cell_length_b   2.89
_cell_length_c   6.6
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   3
_chemical_formula_structural   CaW
_chemical_formula_sum   'Ca2 W2'
_cell_volume   89.8
_cell_formula_units_Z   2
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  2  0.18  0.0  0.08  1.0
  W  W1  2  0.18  0.44  0.29  1.0

Ca Ca W W