data_BeRePd2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.71
_cell_length_b   3.9
_cell_length_c   5.35
_cell_angle_alpha   90.0
_cell_angle_beta   104.04
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeRePd2
_chemical_formula_sum   'Be1 Re1 Pd2'
_cell_volume   54.79
_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  0.81  0.0  0.8  1.0
  Re  Re3  1  0.54  0.95  0.69  1.0
  Pd  Pd1  1  0.94  0.95  0.08  1.0
  Pd  Pd2  1  0.89  0.0  0.4  1.0

data_BeRePd2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.71
_cell_length_b   3.9
_cell_length_c   5.35
_cell_angle_alpha   90.0
_cell_angle_beta   104.04
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeRePd2
_chemical_formula_sum   'Be1 Re1 Pd2'
_cell_volume   54.79
_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  0.81  0.0  0.8  1.0
  Re  Re1  1  0.54  0.95  0.69  1.0
  Pd  Pd2  1  0.89  0.0  0.4  1.0
  Pd  Pd3  1  0.94  0.95  0.08  1.0

Be Re Pd Pd
Be Re Pd Pd 0 1 o - o 0 2 o - + 0 3 o o o 1 3 o + o 1 3 - + o 2 3 o + o 