data_[Er2Tl6]
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
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [17.7142]
_cell_length_b [6.4357]
_cell_length_c [17.7142]
_cell_angle_alpha [90.0000]
_cell_angle_beta [120.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [ErTl3]
_chemical_formula_sum '[Er2 Tl6]'
_cell_volume [1748.9299]
_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
[
  Er  Er0  1  0.3611  0.0000  0.3357  1
  Er  Er1  1  0.5187  0.5000  0.6616  1
  Tl  Tl2  2  0.4057  0.2500  0.4979  1
  Tl  Tl3  2  0.5266  0.2650  0.3972  1
  Tl  Tl4  2  0.6278  0.2350  0.6063  1
]