data_[Er4Mg6Tl4]
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 [Cmmm]
_cell_length_a [4.7561]
_cell_length_b [22.1480]
_cell_length_c [3.4831]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [Er2Mg3Tl2]
_chemical_formula_sum '[Er4 Mg6 Tl4]'
_cell_volume [366.9065]
_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  0.1545  0.0000  1
  Mg  Mg1  4  0.0000  0.4308  0.5000  1
  Mg  Mg2  2  0.0000  0.0000  0.0000  1
  Tl  Tl3  4  0.0000  0.2936  0.5000  1
]