data_[Sm6Er2Tl4O2]
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
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.6287]
_cell_length_b [4.7642]
_cell_length_c [16.6844]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Sm3ErTl2O]
_chemical_formula_sum '[Sm6 Er2 Tl4 O2]'
_cell_volume [367.9215]
_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  4  0.0000  0.0000  0.1714  1.0
  Sm  Sm1  2  0.0000  0.5000  0.0000  1.0
  Er  Er2  2  0.0000  0.5000  0.5000  1.0
  Tl  Tl3  4  0.0000  0.0000  0.3619  1.0
  O  O4  2  0.0000  0.0000  0.0000  1.0
]