data_[Sr4Mn8I24]
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
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [15.1221]
_cell_length_b [13.8663]
_cell_length_c [7.9789]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.3611]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Sr(MnI3)2]
_chemical_formula_sum '[Sr4 Mn8 I24]'
_cell_volume [1634.3050]
_cell_formula_units_Z [4]
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  0.0000  0.1152  0.2500  1.0
  Mn  Mn1  8  0.1940  0.4247  0.2963  1.0
  I  I2  8  0.1195  0.0773  0.6457  1.0
  I  I3  8  0.1327  0.2669  0.1161  1.0
  I  I4  8  0.1368  0.4189  0.5968  1.0
]