data_[Er16Mn2Tl4]
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
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.0534]
_cell_length_b [5.4839]
_cell_length_c [6.8435]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.5132]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Er8MnTl2]
_chemical_formula_sum '[Er16 Mn2 Tl4]'
_cell_volume [591.2270]
_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  0.0096  0.0000  0.7725  1.0
  Er  Er1  4  0.1029  0.5000  0.3952  1.0
  Er  Er2  4  0.1358  0.5000  0.9076  1.0
  Er  Er3  4  0.1944  0.0000  0.2415  1.0
  Mn  Mn4  2  0.0000  0.5000  0.0000  1.0
  Tl  Tl5  4  0.1833  0.0000  0.6913  1.0
]