data_[Mn2Cr4Se6S2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mn  1.5500  1.4000  0.6483
  Cr  1.6600  1.4000  0.9400
  Se  2.5500  1.1500  1.0133
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [13.4441]
_cell_length_b [3.6820]
_cell_length_c [6.3319]
_cell_angle_alpha [90.0000]
_cell_angle_beta [116.4423]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [MnCr2Se3S]
_chemical_formula_sum '[Mn2 Cr4 Se6 S2]'
_cell_volume [280.6467]
_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  0.0017  0.0000  0.9859  1
  Cr  Cr1  2  0.2405  0.5000  0.7612  1
  Cr  Cr2  2  0.2542  0.0000  0.2390  1
  Se  Se3  2  0.1308  0.5000  0.3008  1
  Se  Se4  2  0.3628  0.0000  0.6939  1
  Se  Se5  2  0.3715  0.5000  0.2004  1
  S  S6  2  0.1385  0.0000  0.8188  1
]