data_CaNbBi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.2
_cell_length_b   6.2
_cell_length_c   4.93
_cell_angle_alpha   99.88
_cell_angle_beta   99.88
_cell_angle_gamma   36.82
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaNbBi2
_chemical_formula_sum   'Ca1 Nb1 Bi2'
_cell_volume   111.83
_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
  Ca  Ca2  1  0.46  0.0  0.1  1.0
  Nb  Nb3  1  0.47  0.0  0.01  1.0
  Bi  Bi0  1  0.7  0.0  0.46  1.0
  Bi  Bi1  1  0.57  0.0  0.55  1.0

data_CaNbBi2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.92
_cell_length_b   4.93
_cell_length_c   6.2
_cell_angle_alpha   99.88
_cell_angle_beta   108.41
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaNbBi2
_chemical_formula_sum   'Ca1 Nb1 Bi2'
_cell_volume   111.83
_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
  Ca  Ca0  1  0.0  0.1  0.46  1.0
  Nb  Nb1  1  0.0  0.01  0.47  1.0
  Bi  Bi2  1  0.0  0.46  0.7  1.0
  Bi  Bi3  1  0.0  0.55  0.57  1.0

Ca Nb Bi Bi