data_BeSiBi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.37
_cell_length_b   3.37
_cell_length_c   8.36
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   105.39
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeSiBi2
_chemical_formula_sum   'Be1 Si1 Bi2'
_cell_volume   91.27
_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  0.65  1.0
  Si  Si3  1  0.04  0.0  0.5  1.0
  Bi  Bi1  1  0.04  0.0  0.49  1.0
  Bi  Bi2  1  0.0  0.0  0.91  1.0

data_BeSiBi2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.37
_cell_length_b   3.37
_cell_length_c   8.36
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   105.39
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeSiBi2
_chemical_formula_sum   'Be1 Si1 Bi2'
_cell_volume   91.27
_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  0.65  1.0
  Si  Si1  1  0.04  0.0  0.5  1.0
  Bi  Bi2  1  0.0  0.0  0.91  1.0
  Bi  Bi3  1  0.04  0.0  0.49  1.0

Be Si Bi Bi
Be Si Bi Bi 0 2 o o o 0 1 o o o 0 3 o o o 1 2 o o o 