data_Be2PbSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.76
_cell_length_b   6.76
_cell_length_c   6.76
_cell_angle_alpha   151.26
_cell_angle_beta   150.86
_cell_angle_gamma   41.39
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Be2PbSe
_chemical_formula_sum   'Be2 Pb1 Se1'
_cell_volume   72.02
_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  0.68  0.0  0.16  1.0
  Be  Be1  1  0.0  0.0  0.07  1.0
  Pb  Pb2  1  0.68  0.0  0.83  1.0
  Se  Se3  1  0.0  0.0  0.9  1.0

data_Be2PbSe
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.35
_cell_length_b   3.4
_cell_length_c   6.76
_cell_angle_alpha   104.57
_cell_angle_beta   104.37
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Be2PbSe
_chemical_formula_sum   'Be2 Pb1 Se1'
_cell_volume   72.02
_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  0.07  0.07  1.0
  Be  Be1  1  0.0  0.16  0.48  1.0
  Pb  Pb2  1  0.0  0.83  0.15  1.0
  Se  Se3  1  0.0  0.9  0.9  1.0

Be Be Pb Se
Be Be Pb Se 0 1 + o o 0 2 o o - 1 2 - o - 1 3 o o - 