data_[Sr4Tl12In8]
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 [C2/m]
_cell_length_a [18.5309]
_cell_length_b [5.2024]
_cell_length_c [8.0546]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.0172]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [SrTl3In2]
_chemical_formula_sum '[Sr4 Tl12 In8]'
_cell_volume [749.9840]
_cell_formula_units_Z [4]
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  4  0.1131  0.5000  0.1624  1.0
  Tl  Tl1  4  0.0612  0.5000  0.6772  1.0
  Tl  Tl2  4  0.1037  0.0000  0.4804  1.0
  Tl  Tl3  4  0.2393  0.5000  0.6594  1.0
  In  In4  4  0.0372  0.0000  0.8603  1.0
  In  In5  4  0.2065  0.0000  0.9124  1.0
]