data_[Sr4Mn4S8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Mn  1.5500  1.4000  0.6483
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [7.0504]
_cell_length_b [7.0914]
_cell_length_c [7.9994]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.9413]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [SrMnS2]
_chemical_formula_sum '[Sr4 Mn4 S8]'
_cell_volume [382.5932]
_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
[
  Sr  Sr0  4  0.2689  0.2206  0.9424  1
  Mn  Mn1  4  0.2584  0.7468  0.6871  1
  S  S2  4  0.0663  0.7124  0.3872  1
  S  S3  4  0.4952  0.0013  0.7349  1
]