data_CaW2Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.84
_cell_length_b   6.84
_cell_length_c   4.24
_cell_angle_alpha   107.16
_cell_angle_beta   107.16
_cell_angle_gamma   26.19
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaW2Cl
_chemical_formula_sum   'Ca1 W2 Cl1'
_cell_volume   83.47
_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  0.02  0.0  0.02  1.0
  W  W2  1  0.54  0.0  0.08  1.0
  W  W3  1  0.51  0.0  0.96  1.0
  Cl  Cl1  1  0.0  0.0  0.0  1.0

data_CaW2Cl
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.1
_cell_length_b   4.24
_cell_length_c   6.84
_cell_angle_alpha   107.16
_cell_angle_beta   103.09
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaW2Cl
_chemical_formula_sum   'Ca1 W2 Cl1'
_cell_volume   83.47
_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  0.02  0.02  1.0
  W  W1  1  0.0  0.08  0.54  1.0
  W  W2  1  0.0  0.96  0.51  1.0
  Cl  Cl3  1  0.0  0.0  0.0  1.0

Ca W W Cl