data_[Er2Tl2Ge2Se8]
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
  Ge  2.0100  1.2500  0.7700
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.7407]
_cell_length_b [7.0136]
_cell_length_c [8.9916]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.2733]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [ErTlGeSe4]
_chemical_formula_sum '[Er2 Tl2 Ge2 Se8]'
_cell_volume [405.9185]
_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  2  0.2284  0.2500  0.5539  1.0
  Tl  Tl1  2  0.2414  0.2500  0.0622  1.0
  Ge  Ge2  2  0.2283  0.7500  0.3270  1.0
  Se  Se3  4  0.0113  0.5100  0.7109  1.0
  Se  Se4  2  0.4355  0.7500  0.1579  1.0
  Se  Se5  2  0.4438  0.7500  0.5886  1.0
]