data_[Sr4Tl5Sn2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Tl  1.6200  1.9000  1.3325
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [8.3091]
_cell_length_b [4.8890]
_cell_length_c [9.5183]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.4432]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Sr4Tl5Sn2]
_chemical_formula_sum '[Sr4 Tl5 Sn2]'
_cell_volume [386.6487]
_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
[
  Sr  Sr0  2  0.2145  0.5000  0.8593  1.0
  Sr  Sr1  2  0.2309  0.5000  0.3938  1.0
  Tl  Tl2  2  0.1338  0.0000  0.1170  1.0
  Tl  Tl3  2  0.4544  0.0000  0.6577  1.0
  Tl  Tl4  1  0.5000  0.0000  0.0000  1.0
  Sn  Sn5  2  0.0803  0.0000  0.6336  1.0
]