data_ScBeSn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.96
_cell_length_b   5.76
_cell_length_c   3.29
_cell_angle_alpha   77.15
_cell_angle_beta   70.31
_cell_angle_gamma   32.54
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScBeSn
_chemical_formula_sum   'Sc1 Be1 Sn1'
_cell_volume   56.83
_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  Sc1  1  0.05  0.57  0.77  1.0
  Be  Be0  1  0.05  0.57  0.06  1.0
  Sn  Sn2  1  0.05  0.57  0.93  1.0

data_ScBeSn
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.11
_cell_length_b   10.76
_cell_length_c   3.29
_cell_angle_alpha   90.0
_cell_angle_beta   128.6
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   ScBeSn
_chemical_formula_sum   'Sc2 Be2 Sn2'
_cell_volume   113.65
_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+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.05  0.0  0.82  1.0
  Be  Be1  2  0.05  0.0  0.12  1.0
  Sn  Sn2  2  0.05  0.0  0.98  1.0

Sc Be Sn
Sc Be Sn 0 2 o o o 1 2 o o - 