data_[Mn3Cd3In12S24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mn  1.5500  1.4000  0.6483
  Cd  1.6900  1.5500  1.0900
  In  1.7800  1.5500  0.9400
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [7.7622]
_cell_length_b [7.7622]
_cell_length_c [18.7574]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [MnCd(InS2)4]
_chemical_formula_sum '[Mn3 Cd3 In12 S24]'
_cell_volume [978.7411]
_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  3  0.0000  0.0000  0.0028  1.0
  Cd  Cd1  3  0.0000  0.0000  0.3816  1.0
  In  In2  9  0.1705  0.3410  0.8322  1.0
  In  In3  3  0.0000  0.0000  0.6193  1.0
  S  S4  9  0.0310  0.5155  0.7508  1.0
  S  S5  9  0.1818  0.3636  0.5824  1.0
  S  S6  3  0.0000  0.0000  0.2434  1.0
  S  S7  3  0.0000  0.0000  0.7565  1.0
]