data_Be2RePd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.91
_cell_length_b   4.91
_cell_length_c   4.91
_cell_angle_alpha   140.44
_cell_angle_beta   140.44
_cell_angle_gamma   57.18
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Be2RePd
_chemical_formula_sum   'Be2 Re1 Pd1'
_cell_volume   47.59
_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
  Be  Be0  1  0.0  0.0  0.0  1.0
  Be  Be1  1  0.66  0.0  0.16  1.0
  Re  Re3  1  0.0  0.66  0.16  1.0
  Pd  Pd2  1  0.0  0.0  0.31  1.0

data_Be2RePd
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.32
_cell_length_b   3.32
_cell_length_c   4.91
_cell_angle_alpha   109.78
_cell_angle_beta   109.78
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Be2RePd
_chemical_formula_sum   'Be2 Re1 Pd1'
_cell_volume   47.59
_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
  Be  Be0  1  0.0  0.0  0.0  1.0
  Be  Be1  1  0.16  0.49  0.49  1.0
  Re  Re2  1  0.49  0.16  0.49  1.0
  Pd  Pd3  1  0.31  0.31  0.31  1.0

Be Be Re Pd