data_BeBi3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.42
_cell_length_b   3.42
_cell_length_c   9.49
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   106.46
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeBi3
_chemical_formula_sum   'Be1 Bi3'
_cell_volume   106.52
_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  0.0  1.0
  Bi  Bi1  1  0.05  0.0  0.74  1.0
  Bi  Bi2  1  0.0  0.0  0.75  1.0
  Bi  Bi3  1  0.05  0.0  0.75  1.0

data_BeBi3
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.42
_cell_length_b   3.42
_cell_length_c   9.49
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   106.46
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeBi3
_chemical_formula_sum   'Be1 Bi3'
_cell_volume   106.52
_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  0.0  1.0
  Bi  Bi1  1  0.0  0.0  0.75  1.0
  Bi  Bi2  1  0.05  0.0  0.74  1.0
  Bi  Bi3  1  0.05  0.0  0.75  1.0

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