data_CaWF4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.97
_cell_length_b   6.97
_cell_length_c   6.97
_cell_angle_alpha   132.55
_cell_angle_beta   132.55
_cell_angle_gamma   69.37
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaWF4
_chemical_formula_sum   'Ca2 W2 F8'
_cell_volume   180.53
_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  0.0  0.0  0.6  1.0
  Ca  Ca1  1  0.0  0.0  0.87  1.0
  W  W2  1  0.81  0.0  0.0  1.0
  W  W3  1  0.0  0.81  0.0  1.0
  F  F4  1  0.99  0.79  0.35  1.0
  F  F5  1  0.99  0.79  0.11  1.0
  F  F6  1  0.82  0.01  0.38  1.0
  F  F7  1  0.79  0.01  0.11  1.0
  F  F8  1  0.82  0.01  0.62  1.0
  F  F9  1  0.79  0.01  0.35  1.0
  F  F10  1  0.01  0.79  0.62  1.0
  F  F11  1  0.01  0.79  0.38  1.0

data_CaWF4
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.61
_cell_length_b   5.61
_cell_length_c   6.97
_cell_angle_alpha   113.73
_cell_angle_beta   113.73
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaWF4
_chemical_formula_sum   'Ca2 W2 F8'
_cell_volume   180.53
_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  0.13  0.0  0.13  1.0
  Ca  Ca1  1  0.4  0.0  0.4  1.0
  W  W2  1  0.0  0.0  0.81  1.0
  W  W3  1  0.81  0.81  0.81  1.0
  F  F4  1  0.17  0.79  0.19  1.0
  F  F5  1  0.39  0.01  0.21  1.0
  F  F6  1  0.41  0.79  0.43  1.0
  F  F7  1  0.44  0.79  0.42  1.0
  F  F8  1  0.63  0.01  0.45  1.0
  F  F9  1  0.66  0.01  0.45  1.0
  F  F10  1  0.68  0.79  0.66  1.0
  F  F11  1  0.9  0.01  0.69  1.0

Ca Ca W W F F F F F F F F