data_CaBi2Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.6
_cell_length_b   6.6
_cell_length_c   3.59
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   126.64
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaBi2Cl
_chemical_formula_sum   'Ca1 Bi2 Cl1'
_cell_volume   125.48
_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  0.96  0.0  0.0  1.0
  Bi  Bi0  1  0.48  0.95  0.8  1.0
  Bi  Bi1  1  0.48  0.05  0.8  1.0
  Cl  Cl3  1  0.0  0.0  0.0  1.0

data_CaBi2Cl
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.59
_cell_length_b   5.92
_cell_length_c   6.6
_cell_angle_alpha   116.68
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaBi2Cl
_chemical_formula_sum   'Ca1 Bi2 Cl1'
_cell_volume   125.48
_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  0.96  1.0
  Bi  Bi1  1  0.8  0.05  0.53  1.0
  Bi  Bi2  1  0.8  0.95  0.43  1.0
  Cl  Cl3  1  0.0  0.0  0.0  1.0

Ca Bi Bi Cl