data_LaBi2Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.91
_cell_length_b   4.91
_cell_length_c   4.47
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaBi2Pd
_chemical_formula_sum   'La1 Bi2 Pd1'
_cell_volume   107.71
_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  0.45  0.45  0.0  1.0
  Bi  Bi0  1  0.0  0.45  0.23  1.0
  Bi  Bi1  1  0.45  0.0  0.23  1.0
  Pd  Pd3  1  0.0  0.0  0.0  1.0

data_LaBi2Pd
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.94
_cell_length_b   6.94
_cell_length_c   4.47
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   LaBi2Pd
_chemical_formula_sum   'La2 Bi4 Pd2'
_cell_volume   215.41
_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  0.45  0.0  0.0  1.0
  Bi  Bi1  4  0.23  0.23  0.23  1.0
  Pd  Pd2  2  0.0  0.0  0.0  1.0

La Bi Bi Pd
La Bi Bi Pd 0 1 o o o 0 1 + o o 0 2 o o o 0 2 o + o 1 3 o o o 1 3 o + o 2 3 o o o 2 3 + o o 