data_Ca2BiW
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.32
_cell_length_b   5.32
_cell_length_c   6.49
_cell_angle_alpha   97.09
_cell_angle_beta   97.09
_cell_angle_gamma   34.97
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca2BiW
_chemical_formula_sum   'Ca2 Bi1 W1'
_cell_volume   104.55
_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  Ca1  1  0.92  0.0  0.93  1.0
  Ca  Ca2  1  0.39  0.0  0.5  1.0
  Bi  Bi0  1  0.66  0.0  0.22  1.0
  W  W3  1  0.0  0.0  0.0  1.0

data_Ca2BiW
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.2
_cell_length_b   5.32
_cell_length_c   6.49
_cell_angle_alpha   97.09
_cell_angle_beta   90.0
_cell_angle_gamma   107.48
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca2BiW
_chemical_formula_sum   'Ca2 Bi1 W1'
_cell_volume   104.55
_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  0.08  0.07  1.0
  Ca  Ca1  1  0.0  0.61  0.5  1.0
  Bi  Bi2  1  0.0  0.34  0.78  1.0
  W  W3  1  0.0  0.0  0.0  1.0

Ca Ca Bi W