data_B2PdSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.08
_cell_length_b   4.08
_cell_length_c   2.98
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   B2PdSe
_chemical_formula_sum   'B2 Pd1 Se1'
_cell_volume   49.63
_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
  B  B0  1  0.0  0.04  0.49  1.0
  B  B1  1  0.04  0.0  0.49  1.0
  Pd  Pd2  1  0.04  0.04  0.0  1.0
  Se  Se3  1  0.0  0.0  0.0  1.0

data_B2PdSe
_symmetry_space_group_name_H-M   Amm2
_cell_length_a   2.98
_cell_length_b   5.77
_cell_length_c   5.77
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   38
_chemical_formula_structural   B2PdSe
_chemical_formula_sum   'B4 Pd2 Se2'
_cell_volume   99.26
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-x, -y, z'
  3  '-x, y, z'
  4  'x, -y, z'
  5  'x, y+1/2, z+1/2'
  6  '-x, -y+1/2, z+1/2'
  7  '-x, y+1/2, z+1/2'
  8  'x, -y+1/2, z+1/2'
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
  B  B0  4  0.5  0.02  0.02  1.0
  Pd  Pd1  2  0.0  0.0  0.04  1.0
  Se  Se2  2  0.0  0.0  0.0  1.0

B B Pd Se