data_La2BPd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.94
_cell_length_b   5.94
_cell_length_c   4.78
_cell_angle_alpha   110.39
_cell_angle_beta   110.39
_cell_angle_gamma   34.04
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2BPd
_chemical_formula_sum   'La2 B1 Pd1'
_cell_volume   88.05
_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  La1  1  0.29  0.0  0.25  1.0
  La  La2  1  0.34  0.0  0.32  1.0
  B  B0  1  0.77  0.0  0.13  1.0
  Pd  Pd3  1  0.03  0.0  0.99  1.0

data_La2BPd
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.48
_cell_length_b   4.78
_cell_length_c   5.94
_cell_angle_alpha   110.39
_cell_angle_beta   107.02
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2BPd
_chemical_formula_sum   'La2 B1 Pd1'
_cell_volume   88.05
_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  La0  1  0.0  0.25  0.29  1.0
  La  La1  1  0.0  0.32  0.34  1.0
  B  B2  1  0.0  0.13  0.77  1.0
  Pd  Pd3  1  0.0  0.99  0.03  1.0

La La B Pd
La La B Pd 0 1 o o o 0 3 o o - 1 3 o o - 2 3 + o - 