data_[Sr2In2Sn6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  In  1.7800  1.5500  0.9400
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [4.7413]
_cell_length_b [9.5355]
_cell_length_c [7.7865]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.1327]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [SrInSn3]
_chemical_formula_sum '[Sr2 In2 Sn6]'
_cell_volume [341.3805]
_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  0.0055  0.7500  0.0102  1
  In  In1  2  0.2708  0.7500  0.6009  1
  Sn  Sn2  4  0.4914  0.5059  0.8118  1
  Sn  Sn3  2  0.3177  0.2500  0.6159  1
]