data_[Ba3Cr1Sn2O9]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Cr  1.6600  1.4000  0.9400
  Sn  1.9600  1.4500  0.8300
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [5.8466]
_cell_length_b [5.8466]
_cell_length_c [7.1663]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [Ba3CrSn2O9]
_chemical_formula_sum '[Ba3 Cr1 Sn2 O9]'
_cell_volume [212.1420]
_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
[
  Ba  Ba0  2  0.3333  0.6667  0.3360  1.0
  Ba  Ba1  1  0.0000  0.0000  0.0000  1.0
  Cr  Cr2  1  0.0000  0.0000  0.5000  1.0
  Sn  Sn3  2  0.3333  0.6667  0.8276  1.0
  O  O4  6  0.1626  0.3252  0.6617  1.0
  O  O5  3  0.0000  0.5000  0.0000  1.0
]