data_TaBi2Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.88
_cell_length_b   5.88
_cell_length_c   5.88
_cell_angle_alpha   138.35
_cell_angle_beta   138.35
_cell_angle_gamma   60.37
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaBi2Pd
_chemical_formula_sum   'Ta1 Bi2 Pd1'
_cell_volume   89.04
_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
  Ta  Ta3  1  0.09  0.0  0.54  1.0
  Bi  Bi0  1  0.0  0.0  0.09  1.0
  Bi  Bi1  1  0.0  0.09  0.54  1.0
  Pd  Pd2  1  0.0  0.0  0.0  1.0

data_TaBi2Pd
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.18
_cell_length_b   4.18
_cell_length_c   5.88
_cell_angle_alpha   110.83
_cell_angle_beta   110.83
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaBi2Pd
_chemical_formula_sum   'Ta1 Bi2 Pd1'
_cell_volume   89.04
_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
  Ta  Ta0  1  0.54  0.45  0.45  1.0
  Bi  Bi1  1  0.09  0.09  0.09  1.0
  Bi  Bi2  1  0.45  0.54  0.45  1.0
  Pd  Pd3  1  0.0  0.0  0.0  1.0

Ta Bi Bi Pd
Ta Bi Bi Pd 0 2 o o o 1 3 o o o 