data_[Er1Tl2In1Te4]
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
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.7441]
_cell_length_b [4.3907]
_cell_length_c [8.4797]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.0326]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [ErTl2InTe4]
_chemical_formula_sum '[Er1 Tl2 In1 Te4]'
_cell_volume [274.1645]
_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  0.5000  0.5000  0.0000  1
  Tl  Tl1  1  0.0000  0.5000  0.5000  1
  Tl  Tl2  1  0.5000  0.0000  0.5000  1
  In  In3  1  0.0000  0.0000  0.0000  1
  Te  Te4  2  0.2329  0.5000  0.2073  1
  Te  Te5  2  0.2635  0.0000  0.7860  1
]