data_[Sr8Mn4In4S20]
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
  In  1.7800  1.5500  0.9400
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [3.8792]
_cell_length_b [17.8212]
_cell_length_c [12.5475]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Sr2MnInS5]
_chemical_formula_sum '[Sr8 Mn4 In4 S20]'
_cell_volume [867.4306]
_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  0.1017  0.6524  1.0
  Sr  Sr1  4  0.0000  0.1299  0.3006  1.0
  Mn  Mn2  4  0.0000  0.2327  0.0307  1.0
  In  In3  4  0.0000  0.4344  0.4466  1.0
  S  S4  4  0.0000  0.0578  0.0662  1.0
  S  S5  4  0.0000  0.2702  0.6573  1.0
  S  S6  4  0.0000  0.2926  0.4113  1.0
  S  S7  4  0.0000  0.3652  0.9851  1.0
  S  S8  4  0.0000  0.4946  0.2738  1.0
]