data_[Mn9In3Sn6S24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mn  1.5500  1.4000  0.6483
  In  1.7800  1.5500  0.9400
  Sn  1.9600  1.4500  0.8300
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [7.4867]
_cell_length_b [7.4867]
_cell_length_c [19.1859]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [Mn3In(SnS4)2]
_chemical_formula_sum '[Mn9 In3 Sn6 S24]'
_cell_volume [931.3051]
_cell_formula_units_Z [3]
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
[
  Mn  Mn0  9  0.0046  0.5023  0.0001  1.0
  In  In1  3  0.0000  0.0000  0.8675  1.0
  Sn  Sn2  3  0.0000  0.0000  0.1318  1.0
  Sn  Sn3  3  0.0000  0.0000  0.4997  1.0
  S  S4  9  0.0228  0.5114  0.2567  1.0
  S  S5  9  0.1795  0.8205  0.0725  1.0
  S  S6  3  0.0000  0.0000  0.2712  1.0
  S  S7  3  0.0000  0.0000  0.7344  1.0
]