data_[Er4Mg2Tl6Te12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Mg  1.3100  1.5000  0.8600
  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 [7.6340]
_cell_length_b [13.2337]
_cell_length_c [8.3713]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.6185]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Er2Mg(TlTe2)3]
_chemical_formula_sum '[Er4 Mg2 Tl6 Te12]'
_cell_volume [806.0470]
_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  0.3343  0.0000  1.0
  Mg  Mg1  2  0.0000  0.0000  0.0000  1.0
  Tl  Tl2  4  0.0000  0.1706  0.5000  1.0
  Tl  Tl3  2  0.0000  0.5000  0.5000  1.0
  Te  Te4  8  0.2338  0.1643  0.2105  1.0
  Te  Te5  4  0.2426  0.5000  0.2125  1.0
]