data_[Sr3Tl7In2]
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/m]
_cell_length_a [5.1998]
_cell_length_b [4.8432]
_cell_length_c [15.9253]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.3384]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Sr3Tl7In2]
_chemical_formula_sum '[Sr3 Tl7 In2]'
_cell_volume [395.7433]
_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  0.1806  0.0000  0.3576  1.0
  Sr  Sr1  1  0.5000  0.5000  0.0000  1.0
  Tl  Tl2  2  0.0826  0.5000  0.1602  1.0
  Tl  Tl3  2  0.2727  0.5000  0.5430  1.0
  Tl  Tl4  2  0.4260  0.0000  0.8443  1.0
  Tl  Tl5  1  0.0000  0.0000  0.0000  1.0
  In  In6  2  0.3659  0.5000  0.7285  1.0
]