data_LaBiCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.94
_cell_length_b   6.94
_cell_length_c   6.94
_cell_angle_alpha   148.92
_cell_angle_beta   148.92
_cell_angle_gamma   44.53
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaBiCl
_chemical_formula_sum   'La1 Bi1 Cl1'
_cell_volume   88.7
_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
  La  La2  1  0.0  0.0  0.91  1.0
  Bi  Bi0  1  0.0  0.0  0.09  1.0
  Cl  Cl1  1  0.0  0.0  0.83  1.0

data_LaBiCl
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.26
_cell_length_b   5.26
_cell_length_c   6.94
_cell_angle_alpha   90.0
_cell_angle_beta   112.27
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   LaBiCl
_chemical_formula_sum   'La2 Bi2 Cl2'
_cell_volume   177.39
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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
  La  La0  2  0.41  0.5  0.91  1.0
  Bi  Bi1  2  0.09  0.0  0.09  1.0
  Cl  Cl2  2  0.33  0.5  0.83  1.0

La Bi Cl