data_[Mn3In12Cu3S24]
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
  Cu  1.9000  1.3500  0.8200
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [7.5756]
_cell_length_b [7.5756]
_cell_length_c [18.3859]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [MnIn4CuS8]
_chemical_formula_sum '[Mn3 In12 Cu3 S24]'
_cell_volume [913.7962]
_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  0.9932  1
  In  In1  9  0.0141  0.5070  0.5020  1
  In  In2  3  0.0000  0.0000  0.3776  1
  Cu  Cu3  3  0.0000  0.0000  0.6238  1
  S  S4  9  0.0346  0.5173  0.7477  1
  S  S5  9  0.1736  0.3473  0.5877  1
  S  S6  3  0.0000  0.0000  0.2411  1
  S  S7  3  0.0000  0.0000  0.7519  1
]