data_LaBeBi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.63
_cell_length_b   8.63
_cell_length_c   8.63
_cell_angle_alpha   27.47
_cell_angle_beta   27.47
_cell_angle_gamma   27.47
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaBeBi2
_chemical_formula_sum   'La1 Be1 Bi2'
_cell_volume   120.57
_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  0.0  0.0  1.0
  Be  Be0  1  0.0  0.0  0.62  1.0
  Bi  Bi1  1  0.0  0.0  0.9  1.0
  Bi  Bi2  1  0.0  0.0  0.69  1.0

data_LaBeBi2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   7.1
_cell_length_b   4.1
_cell_length_c   8.63
_cell_angle_alpha   90.0
_cell_angle_beta   105.91
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   LaBeBi2
_chemical_formula_sum   'La2 Be2 Bi4'
_cell_volume   241.14
_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
  La  La0  2  0.0  0.0  1.0  1.0
  Be  Be1  2  -0.0  0.0  0.38  1.0
  Bi  Bi2  2  -0.0  0.0  0.31  1.0
  Bi  Bi3  2  -0.0  0.0  0.1  1.0

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