data_[La21Sm3Ti3V21O72]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Sm  1.1700  1.8500  1.2290
  Ti  1.5400  1.4000  0.8517
  V  1.6300  1.3500  0.7775
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [11.2112]
_cell_length_b [11.2112]
_cell_length_c [13.7323]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [La7SmTiV7O24]
_chemical_formula_sum '[La21 Sm3 Ti3 V21 O72]'
_cell_volume [1494.7862]
_cell_formula_units_Z [3]
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
[
  La  La0  9  0.0039  0.5020  0.2493  1
  La  La1  9  0.1686  0.3372  0.0841  1
  La  La2  3  0.0000  0.0000  0.7480  1
  Sm  Sm3  3  0.0000  0.0000  0.2533  1
  Ti  Ti4  3  0.0000  0.0000  0.0008  1
  V  V5  9  0.0005  0.5003  0.9999  1
  V  V6  9  0.1668  0.3337  0.8334  1
  V  V7  3  0.0000  0.0000  0.4996  1
  O  O8  18  0.0005  0.2485  0.2503  1
  O  O9  18  0.0835  0.4161  0.4163  1
  O  O10  9  0.0816  0.1633  0.9186  1
  O  O11  9  0.0817  0.1634  0.4150  1
  O  O12  9  0.1625  0.0812  0.0826  1
  O  O13  9  0.1646  0.0823  0.5835  1
]