data_La2BePd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.17
_cell_length_b   5.17
_cell_length_c   3.64
_cell_angle_alpha   91.27
_cell_angle_beta   91.27
_cell_angle_gamma   91.86
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2BePd
_chemical_formula_sum   'La2 Be1 Pd1'
_cell_volume   97.06
_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  0.74  0.14  0.82  1.0
  La  La2  1  0.74  0.86  0.82  1.0
  Be  Be0  1  0.0  0.0  0.0  1.0
  Pd  Pd3  1  0.6  0.0  0.0  1.0

data_La2BePd
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.64
_cell_length_b   5.17
_cell_length_c   5.17
_cell_angle_alpha   90.0
_cell_angle_beta   91.27
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   La2BePd
_chemical_formula_sum   'La2 Be1 Pd1'
_cell_volume   97.13
_cell_formula_units_Z   1
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
  La  La0  2  0.82  0.14  0.74  1.0
  Be  Be1  1  0.0  0.0  0.0  1.0
  Pd  Pd2  1  0.0  0.0  0.6  1.0

La La Be Pd