data_[Sr4Sm4Tl14]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Sm  1.1700  1.8500  1.2290
  Tl  1.6200  1.9000  1.3325
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [10.7261]
_cell_length_b [11.8457]
_cell_length_c [6.3745]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [Sr2Sm2Tl7]
_chemical_formula_sum '[Sr4 Sm4 Tl14]'
_cell_volume [809.9304]
_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
[
  Sr  Sr0  4  0.1926  0.0000  0.5000  1
  Sm  Sm1  4  0.0000  0.2689  0.0000  1
  Tl  Tl2  8  0.2500  0.2500  0.2569  1
  Tl  Tl3  4  0.0000  0.5000  0.2621  1
  Tl  Tl4  2  0.0000  0.0000  0.0000  1
]