data_[Sm24Ta8Ti16O84]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Ta  1.5000  1.4500  0.8200
  Ti  1.5400  1.4000  0.8517
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [10.4217]
_cell_length_b [10.4160]
_cell_length_c [16.3986]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.8065]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Sm6Ta2Ti4O21]
_chemical_formula_sum '[Sm24 Ta8 Ti16 O84]'
_cell_volume [1694.8352]
_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
[
  Sm  Sm0  8  0.0791  0.2529  0.1630  1
  Sm  Sm1  8  0.1648  0.4989  0.3379  1
  Sm  Sm2  4  0.0000  0.0000  0.0000  1
  Sm  Sm3  4  0.2500  0.2500  0.0000  1
  Ta  Ta4  8  0.1705  0.0027  0.8337  1
  Ti  Ti5  8  0.0804  0.7429  0.1620  1
  Ti  Ti6  4  0.0000  0.5000  0.0000  1
  Ti  Ti7  4  0.2500  0.2500  0.5000  1
  O  O8  8  0.0448  0.3736  0.9176  1
  O  O9  8  0.0688  0.1246  0.8860  1
  O  O10  8  0.0948  0.3745  0.4440  1
  O  O11  8  0.1262  0.1252  0.4152  1
  O  O12  8  0.1658  0.8749  0.5832  1
  O  O13  8  0.1662  0.1656  0.5831  1
  O  O14  8  0.1675  0.4189  0.0835  1
  O  O15  8  0.2014  0.1252  0.7506  1
  O  O16  8  0.2363  0.3739  0.7186  1
  O  O17  4  0.0000  0.0733  0.2500  1
  O  O18  4  0.0000  0.3262  0.7500  1
  O  O19  4  0.0000  0.3754  0.2500  1
]