data_[Er3Tl6Cr9F36]
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
  Cr  1.6600  1.4000  0.9400
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [7.7140]
_cell_length_b [7.7140]
_cell_length_c [19.1655]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [ErTl2Cr3F12]
_chemical_formula_sum '[Er3 Tl6 Cr9 F36]'
_cell_volume [987.6679]
_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  0.4085  1.0
  Cr  Cr2  9  0.0000  0.5000  0.5000  1.0
  F  F3  18  0.0645  0.5322  0.8519  1.0
  F  F4  18  0.0679  0.5339  0.6026  1.0
]