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 [C2/m]
_cell_length_a [8.8874]
_cell_length_b [5.0933]
_cell_length_c [6.8718]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.2092]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [BiCO3]
_chemical_formula_sum '[Bi4 C4 O12]'
_cell_volume [298.6924]
_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  4  0.0525  0.5000  0.2394  1
  C  C1  4  0.1241  0.0000  0.7605  1
  O  O2  8  0.1975  0.2191  0.7603  1
  O  O3  4  0.0217  0.0000  0.2401  1
]