data_[Er6Mg4Tl8]
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
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.5861]
_cell_length_b [4.9483]
_cell_length_c [9.4208]
_cell_angle_alpha [90.0000]
_cell_angle_beta [119.9792]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Er3(MgTl2)2]
_chemical_formula_sum '[Er6 Mg4 Tl8]'
_cell_volume [467.8506]
_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  0.1501  0.5000  0.6818  1.0
  Er  Er1  2  0.0000  0.0000  0.0000  1.0
  Mg  Mg2  4  0.1480  0.5000  0.3220  1.0
  Tl  Tl3  4  0.0514  0.0000  0.3748  1.0
  Tl  Tl4  4  0.1910  0.5000  0.0451  1.0
]