data_BeP2Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.68
_cell_length_b   4.68
_cell_length_c   4.68
_cell_angle_alpha   140.31
_cell_angle_beta   122.08
_cell_angle_gamma   72.51
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeP2Pd
_chemical_formula_sum   'Be1 P2 Pd1'
_cell_volume   54.41
_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  0.84  1.0
  P  P1  1  0.0  0.27  0.71  1.0
  P  P2  1  0.0  0.0  0.63  1.0
  Pd  Pd3  1  0.0  0.27  0.14  1.0

data_BeP2Pd
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.18
_cell_length_b   4.53
_cell_length_c   4.68
_cell_angle_alpha   118.96
_cell_angle_beta   109.85
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeP2Pd
_chemical_formula_sum   'Be1 P2 Pd1'
_cell_volume   54.41
_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  0.16  0.16  0.16  1.0
  P  P1  1  0.29  0.55  0.55  1.0
  P  P2  1  0.37  0.37  0.37  1.0
  Pd  Pd3  1  0.86  0.12  0.12  1.0

Be P P Pd