data_[Ba2Ca2Sm2Sb2O12]
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
  Sb  2.0500  1.4500  0.8300
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.9472]
_cell_length_b [5.9992]
_cell_length_c [8.4674]
_cell_angle_alpha [90.4267]
_cell_angle_beta [90.5122]
_cell_angle_gamma [90.0916]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [BaCaSmSbO6]
_chemical_formula_sum '[Ba2 Ca2 Sm2 Sb2 O12]'
_cell_volume [302.0824]
_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  0.0051  0.0270  0.2503  1.0
  Ca  Ca1  2  0.4929  0.5392  0.2540  1.0
  Sm  Sm2  1  0.0000  0.5000  0.5000  1.0
  Sm  Sm3  1  0.5000  0.0000  0.0000  1.0
  Sb  Sb4  1  0.0000  0.5000  0.0000  1.0
  Sb  Sb5  1  0.5000  0.0000  0.5000  1.0
  O  O6  2  0.1027  0.4958  0.7691  1.0
  O  O7  2  0.1993  0.7662  0.0361  1.0
  O  O8  2  0.2305  0.8011  0.4750  1.0
  O  O9  2  0.2709  0.3082  0.0590  1.0
  O  O10  2  0.3154  0.2786  0.4480  1.0
  O  O11  2  0.4417  0.0572  0.7322  1.0
]