data_BeNb2Bi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.25
_cell_length_b   5.25
_cell_length_c   5.25
_cell_angle_alpha   134.59
_cell_angle_beta   134.59
_cell_angle_gamma   66.17
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeNb2Bi
_chemical_formula_sum   'Be1 Nb2 Bi1'
_cell_volume   72.25
_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
  Nb  Nb2  1  0.0  0.0  0.4  1.0
  Nb  Nb3  1  0.0  0.03  0.2  1.0
  Bi  Bi1  1  0.03  0.0  0.2  1.0

data_BeNb2Bi
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.05
_cell_length_b   4.05
_cell_length_c   5.25
_cell_angle_alpha   112.71
_cell_angle_beta   112.71
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeNb2Bi
_chemical_formula_sum   'Be1 Nb2 Bi1'
_cell_volume   72.25
_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
  Nb  Nb1  1  0.6  0.0  0.6  1.0
  Nb  Nb2  1  0.83  0.03  0.83  1.0
  Bi  Bi3  1  0.8  0.0  0.83  1.0

Be Nb Nb Bi