data_[Sr1Tl7In3]
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 [P3m1]
_cell_length_a [6.9457]
_cell_length_b [6.9457]
_cell_length_c [8.2762]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [156]
_chemical_formula_structural [SrTl7In3]
_chemical_formula_sum '[Sr1 Tl7 In3]'
_cell_volume [345.7691]
_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  1  0.3333  0.6667  0.5589  1
  Tl  Tl1  3  0.1600  0.3199  0.9094  1
  Tl  Tl2  3  0.3245  0.1623  0.5314  1
  Tl  Tl3  1  0.6667  0.3333  0.8665  1
  In  In4  3  0.5056  0.0112  0.2124  1
]