data_[Sr8As4I10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  As  2.1800  1.1500  0.6600
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [24.5943]
_cell_length_b [4.5242]
_cell_length_c [9.0939]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.3912]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sr4As2I5]
_chemical_formula_sum '[Sr8 As4 I10]'
_cell_volume [1008.9080]
_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  4  0.0172  0.0000  0.7233  1.0
  Sr  Sr1  4  0.1714  0.5000  0.5865  1.0
  As  As2  4  0.0469  0.5000  0.4700  1.0
  I  I3  4  0.1485  0.0000  0.8344  1.0
  I  I4  4  0.1940  0.0000  0.3349  1.0
  I  I5  2  0.0000  0.5000  0.0000  1.0
]