data_Ba2BePd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.27
_cell_length_b   7.4
_cell_length_c   7.4
_cell_angle_alpha   36.22
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2BePd
_chemical_formula_sum   'Ba2 Be1 Pd1'
_cell_volume   138.46
_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
  Ba  Ba0  1  0.0  0.0  0.99  1.0
  Ba  Ba1  1  0.14  0.0  0.62  1.0
  Be  Be2  1  0.0  0.0  0.29  1.0
  Pd  Pd3  1  0.14  0.0  0.39  1.0

data_Ba2BePd
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.27
_cell_length_b   4.6
_cell_length_c   7.4
_cell_angle_alpha   108.11
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2BePd
_chemical_formula_sum   'Ba2 Be1 Pd1'
_cell_volume   138.46
_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
  Ba  Ba0  1  0.0  0.99  0.99  1.0
  Ba  Ba1  1  0.86  0.62  0.62  1.0
  Be  Be2  1  0.0  0.29  0.29  1.0
  Pd  Pd3  1  0.86  0.39  0.39  1.0

Ba Ba Be Pd