data_NbBiO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.2
_cell_length_b   4.2
_cell_length_c   6.06
_cell_angle_alpha   106.15
_cell_angle_beta   106.15
_cell_angle_gamma   88.96
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbBiO4
_chemical_formula_sum   'Nb1 Bi1 O4'
_cell_volume   98.23
_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
  Nb  Nb0  1  0.99  0.37  0.0  1.0
  Bi  Bi1  1  0.81  0.22  0.79  1.0
  O  O2  1  0.2  0.5  0.3  1.0
  O  O3  1  0.07  0.91  0.94  1.0
  O  O4  1  0.55  0.91  0.63  1.0
  O  O5  1  0.43  0.5  0.28  1.0

data_NbBiO4
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.2
_cell_length_b   4.2
_cell_length_c   6.06
_cell_angle_alpha   73.85
_cell_angle_beta   73.85
_cell_angle_gamma   88.96
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbBiO4
_chemical_formula_sum   'Nb1 Bi1 O4'
_cell_volume   98.23
_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
  Nb  Nb0  1  0.01  0.63  -0.0  1.0
  Bi  Bi1  1  0.19  0.78  0.79  1.0
  O  O2  1  0.45  0.09  0.63  1.0
  O  O3  1  0.57  0.5  0.28  1.0
  O  O4  1  0.8  0.5  0.3  1.0
  O  O5  1  0.93  0.09  0.94  1.0

Nb Bi O O O O
Nb Bi O O O O 0 1 o o - 0 3 + - - 1 3 + - o 1 4 o - o 2 5 o o o 