data_[Mn4S6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mn  1.5500  1.4000  0.6483
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2_1]
_cell_length_a [17.7056]
_cell_length_b [5.2659]
_cell_length_c [17.7056]
_cell_angle_alpha [90.0000]
_cell_angle_beta [120.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [4]
_chemical_formula_structural [Mn2S3]
_chemical_formula_sum '[Mn4 S6]'
_cell_volume [1429.6387]
_cell_formula_units_Z [2]
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  2  0.0445  0.0001  0.4626  1
  Mn  Mn1  2  0.0476  0.5002  0.4601  1
  S  S2  2  0.0185  0.2401  0.3573  1
  S  S3  2  0.0713  0.2500  0.5756  1
  S  S4  2  0.1525  0.7601  0.4994  1
]