data_[Er2Mg4Tl4]
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 [9.1427]
_cell_length_b [4.6860]
_cell_length_c [7.2020]
_cell_angle_alpha [90.0000]
_cell_angle_beta [125.0832]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Er(MgTl)2]
_chemical_formula_sum '[Er2 Mg4 Tl4]'
_cell_volume [252.4961]
_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  0.0000  0.5000  0.0000  1.0
  Mg  Mg1  4  0.1970  0.5000  0.6097  1.0
  Tl  Tl2  4  0.0762  0.0000  0.7705  1.0
]