data_[Sr2Tl8In2]
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
  In  1.7800  1.5500  0.9400
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [5.5386]
_cell_length_b [7.5439]
_cell_length_c [9.1029]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.6810]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [SrTl4In]
_chemical_formula_sum '[Sr2 Tl8 In2]'
_cell_volume [367.9243]
_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
[
  Sr  Sr0  2  0.1783  0.2500  0.3429  1
  Tl  Tl1  4  0.3315  0.0200  0.6847  1
  Tl  Tl2  2  0.0000  0.0000  0.0000  1
  Tl  Tl3  2  0.4894  0.7500  0.9868  1
  In  In4  2  0.1869  0.7500  0.3538  1
]