data_[Er1Tl1Cd1F6]
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
  Cd  1.6900  1.5500  1.0900
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P312]
_cell_length_a [6.0830]
_cell_length_b [6.0830]
_cell_length_c [5.6547]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [149]
_chemical_formula_structural [ErTlCdF6]
_chemical_formula_sum '[Er1 Tl1 Cd1 F6]'
_cell_volume [181.2076]
_cell_formula_units_Z [1]
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  1  0.3333  0.6667  0.5000  1.0
  Tl  Tl1  1  0.0000  0.0000  0.0000  1.0
  Cd  Cd2  1  0.6667  0.3333  0.5000  1.0
  F  F3  6  0.0122  0.3857  0.7064  1.0
]