data_[Sm6Er12Tl2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Er  1.2400  1.7500  1.0300
  Tl  1.6200  1.9000  1.3325
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [12.8674]
_cell_length_b [3.5498]
_cell_length_c [14.4026]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.4611]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Sm3Er6Tl]
_chemical_formula_sum '[Sm6 Er12 Tl2]'
_cell_volume [624.0130]
_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  0.0331  0.2500  0.9075  1
  Sm  Sm1  2  0.1232  0.2500  0.5010  1
  Sm  Sm2  2  0.4904  0.2500  0.1037  1
  Er  Er3  2  0.1169  0.7500  0.7107  1
  Er  Er4  2  0.1675  0.2500  0.2819  1
  Er  Er5  2  0.2470  0.7500  0.1043  1
  Er  Er6  2  0.2826  0.2500  0.9003  1
  Er  Er7  2  0.3551  0.2500  0.6901  1
  Er  Er8  2  0.3616  0.7500  0.4773  1
  Tl  Tl9  2  0.4236  0.2500  0.3067  1
]