data_ScBe2Bi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.78
_cell_length_b   3.81
_cell_length_c   5.12
_cell_angle_alpha   90.0
_cell_angle_beta   110.02
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScBe2Bi
_chemical_formula_sum   'Sc1 Be2 Bi1'
_cell_volume   69.19
_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  0.43  0.0  0.04  1.0
  Be  Be0  1  0.08  0.91  0.0  1.0
  Be  Be1  1  0.08  0.0  0.14  1.0
  Bi  Bi2  1  0.22  0.91  0.03  1.0

data_ScBe2Bi
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.78
_cell_length_b   3.81
_cell_length_c   5.12
_cell_angle_alpha   90.0
_cell_angle_beta   110.02
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScBe2Bi
_chemical_formula_sum   'Sc1 Be2 Bi1'
_cell_volume   69.19
_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  0.43  0.0  0.04  1.0
  Be  Be1  1  0.08  0.0  0.14  1.0
  Be  Be2  1  0.08  0.91  0.0  1.0
  Bi  Bi3  1  0.22  0.91  0.03  1.0

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