data_[Ba2Ca2Sm2Bi2O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Ca  1.0000  1.8000  1.1400
  Sm  1.1700  1.8500  1.2290
  Bi  2.0200  1.6000  1.0350
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.0392]
_cell_length_b [6.1356]
_cell_length_c [8.6396]
_cell_angle_alpha [89.8676]
_cell_angle_beta [89.6408]
_cell_angle_gamma [89.8906]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [BaCaSmBiO6]
_chemical_formula_sum '[Ba2 Ca2 Sm2 Bi2 O12]'
_cell_volume [320.1284]
_cell_formula_units_Z [2]
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
[
  Ba  Ba0  2  0.0062  0.0371  0.7495  1.0
  Ca  Ca1  2  0.4896  0.5406  0.7473  1.0
  Sm  Sm2  1  0.0000  0.5000  0.5000  1.0
  Sm  Sm3  1  0.5000  0.0000  0.0000  1.0
  Bi  Bi4  1  0.0000  0.5000  0.0000  1.0
  Bi  Bi5  1  0.5000  0.0000  0.5000  1.0
  O  O6  2  0.1171  0.5079  0.2385  1.0
  O  O7  2  0.1980  0.7814  0.9585  1.0
  O  O8  2  0.2156  0.8002  0.5334  1.0
  O  O9  2  0.2875  0.3089  0.9342  1.0
  O  O10  2  0.3150  0.2926  0.5612  1.0
  O  O11  2  0.4290  0.0678  0.2605  1.0
]