data_Be2PdSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.1
_cell_length_b   3.1
_cell_length_c   5.85
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   96.31
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Be2PdSe
_chemical_formula_sum   'Be2 Pd1 Se1'
_cell_volume   55.99
_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  0.07  0.0  0.76  1.0
  Be  Be1  1  0.0  0.0  0.47  1.0
  Pd  Pd2  1  0.07  0.0  0.51  1.0
  Se  Se3  1  0.0  0.0  0.89  1.0

data_Be2PdSe
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.1
_cell_length_b   3.1
_cell_length_c   5.85
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   96.31
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Be2PdSe
_chemical_formula_sum   'Be2 Pd1 Se1'
_cell_volume   55.99
_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  0.47  1.0
  Be  Be1  1  0.07  0.0  0.76  1.0
  Pd  Pd2  1  0.07  0.0  0.51  1.0
  Se  Se3  1  0.0  0.0  0.89  1.0

Be Be Pd Se