data_Ca2W
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.67
_cell_length_b   7.95
_cell_length_c   2.98
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca2W
_chemical_formula_sum   'Ca4 W2'
_cell_volume   181.57
_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  0.67  0.52  0.0  1.0
  Ca  Ca1  1  0.0  0.42  0.0  1.0
  Ca  Ca2  1  0.51  0.4  0.49  1.0
  Ca  Ca3  1  0.17  0.55  0.49  1.0
  W  W4  1  0.0  0.0  0.0  1.0
  W  W5  1  0.84  0.97  0.49  1.0

data_Ca2W
_symmetry_space_group_name_H-M   Pm
_cell_length_a   7.67
_cell_length_b   2.98
_cell_length_c   7.95
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   Ca2W
_chemical_formula_sum   'Ca4 W2'
_cell_volume   181.57
_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  1  0.0  0.0  0.42  1.0
  Ca  Ca1  1  0.17  0.5  0.55  1.0
  Ca  Ca2  1  0.51  0.5  0.4  1.0
  Ca  Ca3  1  0.67  0.0  0.52  1.0
  W  W4  1  0.0  0.0  0.0  1.0
  W  W5  1  0.84  0.5  0.97  1.0

Ca Ca Ca Ca W W