data_[Sr2Mn1Tl1I8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Mn  1.5500  1.4000  0.6483
  Tl  1.6200  1.9000  1.3325
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.2097]
_cell_length_b [9.6768]
_cell_length_c [7.9305]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.8577]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Sr2MnTlI8]
_chemical_formula_sum '[Sr2 Mn1 Tl1 I8]'
_cell_volume [552.5985]
_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  0.5000  0.2353  0.5000  1.0
  Mn  Mn1  1  0.0000  0.0000  0.0000  1.0
  Tl  Tl2  1  0.0000  0.5000  0.0000  1.0
  I  I3  4  0.2249  0.1968  0.1353  1.0
  I  I4  2  0.2410  0.0000  0.6673  1.0
  I  I5  2  0.3522  0.5000  0.7167  1.0
]