data_[Nd16Mg2Tl4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  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 [18.6019]
_cell_length_b [5.4174]
_cell_length_c [7.2736]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.2371]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nd8MgTl2]
_chemical_formula_sum '[Nd16 Mg2 Tl4]'
_cell_volume [723.4887]
_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
[
  Nd  Nd0  4  0.0314  0.0000  0.7414  1.0
  Nd  Nd1  4  0.0916  0.5000  0.4482  1.0
  Nd  Nd2  4  0.1639  0.5000  0.9351  1.0
  Nd  Nd3  4  0.1802  0.0000  0.2716  1.0
  Mg  Mg4  2  0.0000  0.5000  0.0000  1.0
  Tl  Tl5  4  0.2082  0.0000  0.7171  1.0
]