data_[Y1Mg2Tl1Cl8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Mg  1.3100  1.5000  0.8600
  Tl  1.6200  1.9000  1.3325
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.4842]
_cell_length_b [6.4918]
_cell_length_c [8.9417]
_cell_angle_alpha [79.1580]
_cell_angle_beta [78.7269]
_cell_angle_gamma [78.7505]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [YMg2TlCl8]
_chemical_formula_sum '[Y1 Mg2 Tl1 Cl8]'
_cell_volume [357.6156]
_cell_formula_units_Z [1]
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
[
  Y  Y0  1  0.0000  0.0000  0.0000  1
  Mg  Mg1  2  0.4508  0.4550  0.7130  1
  Tl  Tl2  1  0.0000  0.0000  0.5000  1
  Cl  Cl3  2  0.2100  0.7584  0.2180  1
  Cl  Cl4  2  0.2578  0.8044  0.7772  1
  Cl  Cl5  2  0.2589  0.2788  0.9533  1
  Cl  Cl6  2  0.3237  0.3427  0.5111  1
]