data_[Sr2Tl2In2]
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 [4.0678]
_cell_length_b [5.2854]
_cell_length_c [9.0130]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.4014]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [SrTlIn]
_chemical_formula_sum '[Sr2 Tl2 In2]'
_cell_volume [193.7777]
_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  0.0085  0.2500  0.2407  1.0
  Tl  Tl1  2  0.3944  0.2500  0.5807  1.0
  In  In2  2  0.4697  0.7500  0.0839  1.0
]