data_BePd3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.1
_cell_length_b   8.1
_cell_length_c   8.1
_cell_angle_alpha   152.66
_cell_angle_beta   152.66
_cell_angle_gamma   39.06
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BePd3
_chemical_formula_sum   'Be2 Pd6'
_cell_volume   111.86
_cell_formula_units_Z   2
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
  Be  Be0  1  0.0  0.0  0.82  1.0
  Be  Be1  1  0.0  0.0  0.44  1.0
  Pd  Pd2  1  0.0  0.0  0.92  1.0
  Pd  Pd3  1  0.0  0.91  0.82  1.0
  Pd  Pd4  1  0.0  0.91  0.0  1.0
  Pd  Pd5  1  0.0  0.0  0.35  1.0
  Pd  Pd6  1  0.91  0.0  0.82  1.0
  Pd  Pd7  1  0.91  0.0  0.0  1.0

data_BePd3
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.41
_cell_length_b   5.41
_cell_length_c   8.1
_cell_angle_alpha   90.0
_cell_angle_beta   109.53
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   BePd3
_chemical_formula_sum   'Be4 Pd12'
_cell_volume   223.72
_cell_formula_units_Z   4
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
  Be  Be0  2  0.32  0.5  0.82  1.0
  Be  Be1  2  0.44  0.0  0.44  1.0
  Pd  Pd2  4  0.04  0.04  0.09  1.0
  Pd  Pd3  4  0.36  0.46  0.9  1.0
  Pd  Pd4  2  0.35  0.0  0.35  1.0
  Pd  Pd5  2  0.42  0.5  0.92  1.0

Be Be Pd Pd Pd Pd Pd Pd