data_BiPd2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.03
_cell_length_b   7.03
_cell_length_c   4.15
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   145.85
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BiPd2
_chemical_formula_sum   'Bi2 Pd4'
_cell_volume   114.9
_cell_formula_units_Z   2
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  0.06  0.31  0.04  1.0
  Bi  Bi1  1  0.06  0.69  0.11  1.0
  Pd  Pd2  1  0.06  0.08  0.04  1.0
  Pd  Pd3  1  0.06  0.92  0.11  1.0
  Pd  Pd4  1  0.06  0.62  0.04  1.0
  Pd  Pd5  1  0.06  0.38  0.11  1.0

data_BiPd2
_symmetry_space_group_name_H-M   P-1
_cell_length_a   4.13
_cell_length_b   4.15
_cell_length_c   7.03
_cell_angle_alpha   90.0
_cell_angle_beta   107.07
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   BiPd2
_chemical_formula_sum   'Bi2 Pd4'
_cell_volume   114.9
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  2  0.31  0.54  0.81  1.0
  Pd  Pd1  2  0.08  0.54  0.58  1.0
  Pd  Pd2  2  0.38  0.46  0.88  1.0

Bi Bi Pd Pd Pd Pd