data_[Sm2Tl2Cu2Se6]
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
  Cu  1.9000  1.3500  0.8200
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [4.0525]
_cell_length_b [11.0529]
_cell_length_c [7.4512]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.8376]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [SmTlCuSe3]
_chemical_formula_sum '[Sm2 Tl2 Cu2 Se6]'
_cell_volume [324.0699]
_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
[
  Sm  Sm0  2  0.0000  0.0000  0.0000  1
  Tl  Tl1  2  0.2210  0.7500  0.4960  1
  Cu  Cu2  2  0.4775  0.2500  0.9321  1
  Se  Se3  4  0.3864  0.0704  0.7330  1
  Se  Se4  2  0.0651  0.2500  0.1318  1
]