data_BiPdCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.19
_cell_length_b   5.19
_cell_length_c   5.19
_cell_angle_alpha   127.02
_cell_angle_beta   127.02
_cell_angle_gamma   78.22
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BiPdCl2
_chemical_formula_sum   'Bi1 Pd1 Cl2'
_cell_volume   86.31
_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
  Bi  Bi0  1  0.0  0.0  0.03  1.0
  Pd  Pd3  1  0.0  0.0  0.0  1.0
  Cl  Cl1  1  0.0  0.31  0.01  1.0
  Cl  Cl2  1  0.31  0.0  0.01  1.0

data_BiPdCl2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.55
_cell_length_b   6.55
_cell_length_c   5.19
_cell_angle_alpha   90.0
_cell_angle_beta   129.11
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   BiPdCl2
_chemical_formula_sum   'Bi2 Pd2 Cl4'
_cell_volume   172.61
_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
  Bi  Bi0  2  0.47  0.5  0.97  1.0
  Pd  Pd1  2  0.0  0.0  0.0  1.0
  Cl  Cl2  4  0.14  0.16  0.3  1.0

Bi Pd Cl Cl
Bi Pd Cl Cl 0 1 o o o 0 2 o o o 0 3 o o o 1 2 o o o 1 3 o o o 