data_BaBeBi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.1
_cell_length_b   6.1
_cell_length_c   6.21
_cell_angle_alpha   113.57
_cell_angle_beta   113.57
_cell_angle_gamma   38.72
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaBeBi2
_chemical_formula_sum   'Ba1 Be1 Bi2'
_cell_volume   130.79
_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
  Ba  Ba0  1  0.79  0.0  0.78  1.0
  Be  Be1  1  0.94  0.0  0.33  1.0
  Bi  Bi2  1  0.43  0.0  0.24  1.0
  Bi  Bi3  1  0.01  0.0  0.7  1.0

data_BaBeBi2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.04
_cell_length_b   6.1
_cell_length_c   6.21
_cell_angle_alpha   113.57
_cell_angle_beta   90.0
_cell_angle_gamma   109.36
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaBeBi2
_chemical_formula_sum   'Ba1 Be1 Bi2'
_cell_volume   130.79
_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
  Ba  Ba0  1  0.0  0.21  0.22  1.0
  Be  Be1  1  0.0  0.06  0.67  1.0
  Bi  Bi2  1  0.0  0.57  0.76  1.0
  Bi  Bi3  1  0.0  0.99  0.3  1.0

Ba Be Bi Bi