data_[Bi4C4O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Bi  2.0200  1.6000  1.0350
  C  2.5500  0.7000  0.3000
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.2137]
_cell_length_b [6.9776]
_cell_length_c [8.6345]
_cell_angle_alpha [99.0881]
_cell_angle_beta [90.0258]
_cell_angle_gamma [90.6265]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [BiCO3]
_chemical_formula_sum '[Bi4 C4 O12]'
_cell_volume [310.1508]
_cell_formula_units_Z [4]
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
[
  Bi  Bi0  2  0.2479  0.8664  0.6634  1
  Bi  Bi1  2  0.2546  0.2965  0.8422  1
  C  C2  2  0.2386  0.6536  0.2767  1
  C  C3  2  0.2538  0.1654  0.2207  1
  O  O4  2  0.0235  0.6337  0.3498  1
  O  O5  2  0.0398  0.1983  0.1527  1
  O  O6  2  0.2341  0.6965  0.1362  1
  O  O7  2  0.2549  0.1017  0.3536  1
  O  O8  2  0.4556  0.6351  0.3468  1
  O  O9  2  0.4682  0.1988  0.1519  1
]