data_LaBeBi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.22
_cell_length_b   6.22
_cell_length_c   6.22
_cell_angle_alpha   137.13
_cell_angle_beta   137.13
_cell_angle_gamma   62.25
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaBeBi2
_chemical_formula_sum   'La1 Be1 Bi2'
_cell_volume   109.81
_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
  La  La3  1  0.0  0.27  0.66  1.0
  Be  Be0  1  0.0  0.0  0.0  1.0
  Bi  Bi1  1  0.27  0.0  0.66  1.0
  Bi  Bi2  1  0.0  0.0  0.32  1.0

data_LaBeBi2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.54
_cell_length_b   4.54
_cell_length_c   6.22
_cell_angle_alpha   111.44
_cell_angle_beta   111.44
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaBeBi2
_chemical_formula_sum   'La1 Be1 Bi2'
_cell_volume   109.81
_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
  La  La0  1  0.61  0.27  0.61  1.0
  Be  Be1  1  0.0  0.0  0.0  1.0
  Bi  Bi2  1  0.34  0.0  0.61  1.0
  Bi  Bi3  1  0.68  0.0  0.68  1.0

La Be Bi Bi
La Be Bi Bi 0 3 o o o 0 2 o o o 1 3 o o o 2 3 o o o 