data_ScBePb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.36
_cell_length_b   4.25
_cell_length_c   6.5
_cell_angle_alpha   90.0
_cell_angle_beta   93.05
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScBePb2
_chemical_formula_sum   'Sc1 Be1 Pb2'
_cell_volume   92.76
_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
  Sc  Sc3  1  0.51  0.0  0.25  1.0
  Be  Be0  1  0.0  0.0  0.0  1.0
  Pb  Pb1  1  0.06  0.12  0.57  1.0
  Pb  Pb2  1  0.95  0.12  0.92  1.0

data_ScBePb2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.36
_cell_length_b   4.25
_cell_length_c   6.5
_cell_angle_alpha   90.0
_cell_angle_beta   93.05
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScBePb2
_chemical_formula_sum   'Sc1 Be1 Pb2'
_cell_volume   92.76
_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
  Sc  Sc0  1  0.51  0.0  0.25  1.0
  Be  Be1  1  0.0  0.0  0.0  1.0
  Pb  Pb2  1  0.06  0.12  0.57  1.0
  Pb  Pb3  1  0.95  0.12  0.92  1.0

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