data_[Sr4Mn4In4Br20]
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
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [9.7664]
_cell_length_b [12.9244]
_cell_length_c [10.8282]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.0840]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [SrMnInBr5]
_chemical_formula_sum '[Sr4 Mn4 In4 Br20]'
_cell_volume [1247.8055]
_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  0.0000  0.0000  1.0
  Mn  Mn1  4  0.0000  0.3182  0.2500  1.0
  In  In2  4  0.0000  0.3456  0.7500  1.0
  Br  Br3  8  0.1322  0.2085  0.1405  1.0
  Br  Br4  8  0.1699  0.4355  0.4346  1.0
  Br  Br5  4  0.0000  0.1010  0.7500  1.0
]