data_[Sr6Sn2Br2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Sn  1.9600  1.4500  0.8300
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [8.6198]
_cell_length_b [4.8829]
_cell_length_c [9.4537]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.7708]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Sr3SnBr]
_chemical_formula_sum '[Sr6 Sn2 Br2]'
_cell_volume [388.0594]
_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  0.0855  0.7500  0.2794  1.0
  Sr  Sr1  2  0.3154  0.7500  0.9655  1.0
  Sr  Sr2  2  0.4063  0.2500  0.6287  1.0
  Sn  Sn3  2  0.3344  0.2500  0.2231  1.0
  Br  Br4  2  0.1387  0.7500  0.6243  1.0
]