data_BePPd2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.14
_cell_length_b   4.02
_cell_length_c   4.15
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BePPd2
_chemical_formula_sum   'Be1 P1 Pd2'
_cell_volume   52.32
_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
  P  P1  1  0.0  0.01  0.07  1.0
  Pd  Pd2  1  0.57  0.01  0.0  1.0
  Pd  Pd3  1  0.57  0.0  0.07  1.0

data_BePPd2
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.14
_cell_length_b   4.02
_cell_length_c   4.15
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   BePPd2
_chemical_formula_sum   'Be1 P1 Pd2'
_cell_volume   52.32
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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
  P  P1  1  0.0  0.0  0.07  1.0
  Pd  Pd2  1  0.57  0.0  0.0  1.0
  Pd  Pd3  1  0.57  0.0  0.07  1.0

Be P Pd Pd
Be P Pd Pd 0 1 o o o 2 3 o o o 