data_[Er4Mn2Tl6Te12]
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
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.5615]
_cell_length_b [13.0670]
_cell_length_c [8.4061]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.5798]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Er2Mn(TlTe2)3]
_chemical_formula_sum '[Er4 Mn2 Tl6 Te12]'
_cell_volume [791.7793]
_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  4  0.0000  0.3356  0.0000  1.0
  Mn  Mn1  2  0.0000  0.0000  0.0000  1.0
  Tl  Tl2  4  0.0000  0.1775  0.5000  1.0
  Tl  Tl3  2  0.0000  0.5000  0.5000  1.0
  Te  Te4  8  0.2239  0.1576  0.2034  1.0
  Te  Te5  4  0.2453  0.0000  0.7855  1.0
]