data_[Mn3Co12Ni3S24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mn  1.5500  1.4000  0.6483
  Co  1.8800  1.3500  0.7683
  Ni  1.9100  1.3500  0.7400
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [6.7046]
_cell_length_b [6.7046]
_cell_length_c [15.9583]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [MnCo4NiS8]
_chemical_formula_sum '[Mn3 Co12 Ni3 S24]'
_cell_volume [621.2377]
_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  0.9970  1.0
  Co  Co1  9  0.1667  0.3334  0.8342  1.0
  Co  Co2  3  0.0000  0.0000  0.6249  1.0
  Ni  Ni3  3  0.0000  0.0000  0.3765  1.0
  S  S4  9  0.0194  0.5097  0.7548  1.0
  S  S5  9  0.1718  0.3435  0.5785  1.0
  S  S6  3  0.0000  0.0000  0.2407  1.0
  S  S7  3  0.0000  0.0000  0.7588  1.0
]