data_CaBi2W
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.21
_cell_length_b   4.58
_cell_length_c   7.23
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaBi2W
_chemical_formula_sum   'Ca1 Bi2 W1'
_cell_volume   106.5
_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  Ca2  1  0.0  0.0  0.62  1.0
  Bi  Bi0  1  0.0  0.0  0.73  1.0
  Bi  Bi1  1  0.61  0.29  0.32  1.0
  W  W3  1  0.61  0.29  0.42  1.0

data_CaBi2W
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.21
_cell_length_b   4.58
_cell_length_c   7.23
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaBi2W
_chemical_formula_sum   'Ca1 Bi2 W1'
_cell_volume   106.5
_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  0.0  0.62  1.0
  Bi  Bi1  1  0.0  0.0  0.73  1.0
  Bi  Bi2  1  0.61  0.29  0.32  1.0
  W  W3  1  0.61  0.29  0.42  1.0

Ca Bi Bi W
Ca Bi Bi W 0 1 o o o 2 3 o o o 