data_Ca3W
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.48
_cell_length_b   7.02
_cell_length_c   6.07
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca3W
_chemical_formula_sum   'Ca6 W2'
_cell_volume   233.69
_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  0.24  1.0
  Ca  Ca1  1  0.74  0.51  0.83  1.0
  Ca  Ca2  1  0.74  0.76  0.06  1.0
  Ca  Ca3  1  0.74  0.27  0.06  1.0
  Ca  Ca4  1  0.0  0.27  0.01  1.0
  Ca  Ca5  1  0.0  0.75  0.01  1.0
  W  W6  1  0.74  0.0  0.15  1.0
  W  W7  1  0.0  0.51  0.92  1.0

data_Ca3W
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.48
_cell_length_b   6.07
_cell_length_c   7.02
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca3W
_chemical_formula_sum   'Ca6 W2'
_cell_volume   233.69
_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  0.99  0.25  1.0
  Ca  Ca1  1  -0.0  0.99  0.73  1.0
  Ca  Ca2  1  0.0  0.76  0.0  1.0
  Ca  Ca3  1  0.26  0.17  0.49  1.0
  Ca  Ca4  1  0.26  0.94  0.24  1.0
  Ca  Ca5  1  0.26  0.94  0.73  1.0
  W  W6  1  -0.0  0.08  0.49  1.0
  W  W7  1  0.26  0.85  0.0  1.0

Ca Ca Ca Ca Ca Ca W W