data_[Sm16Tl4In4O4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Tl  1.6200  1.9000  1.3325
  In  1.7800  1.5500  0.9400
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [6.7504]
_cell_length_b [16.7377]
_cell_length_c [6.7325]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Sm4TlInO]
_chemical_formula_sum '[Sm16 Tl4 In4 O4]'
_cell_volume [760.6838]
_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  0.2500  0.2500  0.0000  1.0
  Sm  Sm1  4  0.0000  0.0789  0.2500  1.0
  Sm  Sm2  4  0.0000  0.4230  0.2500  1.0
  Tl  Tl3  4  0.0000  0.1107  0.7500  1.0
  In  In4  4  0.0000  0.3877  0.7500  1.0
  O  O5  4  0.0000  0.2456  0.2500  1.0
]