data_[Er4Mn4Tl8Se16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Mn  1.5500  1.4000  0.6483
  Tl  1.6200  1.9000  1.3325
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Imma]
_cell_length_a [8.4576]
_cell_length_b [8.4660]
_cell_length_c [11.9559]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [74]
_chemical_formula_structural [ErMn(TlSe2)2]
_chemical_formula_sum '[Er4 Mn4 Tl8 Se16]'
_cell_volume [856.0583]
_cell_formula_units_Z [4]
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  4  0.2500  0.2500  0.7500  1.0
  Mn  Mn1  4  0.0000  0.0000  0.5000  1.0
  Tl  Tl2  4  0.0000  0.0000  0.0000  1.0
  Tl  Tl3  4  0.2500  0.2500  0.2500  1.0
  Se  Se4  8  0.0000  0.0247  0.7294  1.0
  Se  Se5  8  0.2088  0.2500  0.5111  1.0
]