data_[Er3Tl6In3F18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Tl  1.6200  1.9000  1.3325
  In  1.7800  1.5500  0.9400
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [6.8378]
_cell_length_b [6.8378]
_cell_length_c [15.6168]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [ErTl2InF6]
_chemical_formula_sum '[Er3 Tl6 In3 F18]'
_cell_volume [632.3484]
_cell_formula_units_Z [3]
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
[
  Er  Er0  3  0.0000  0.0000  0.0000  1.0
  Tl  Tl1  6  0.0000  0.0000  0.2404  1.0
  In  In2  3  -0.0000  0.0000  0.5000  1.0
  F  F3  18  0.0414  0.2742  0.0827  1.0
]