data_[Mn4As4S8Cl4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mn  1.5500  1.4000  0.6483
  As  2.1800  1.1500  0.6600
  S  2.5800  1.0000  0.8800
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.4908]
_cell_length_b [3.6405]
_cell_length_c [9.4795]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.4358]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [MnAsS2Cl]
_chemical_formula_sum '[Mn4 As4 S8 Cl4]'
_cell_volume [431.0482]
_cell_formula_units_Z [4]
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  0.0000  0.0000  0.0000  1
  Mn  Mn1  2  0.0000  0.0000  0.5000  1
  As  As2  4  0.2050  0.5000  0.3261  1
  S  S3  4  0.0835  0.0000  0.2601  1
  S  S4  4  0.1403  0.5000  0.5528  1
  Cl  Cl5  4  0.1230  0.5000  0.9263  1
]