data_[Ba2Mn2Sb2S8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Mn  1.5500  1.4000  0.6483
  Sb  2.0500  1.4500  0.8300
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [7.0251]
_cell_length_b [6.6826]
_cell_length_c [8.6533]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.2801]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [BaMnSbS4]
_chemical_formula_sum '[Ba2 Mn2 Sb2 S8]'
_cell_volume [385.7364]
_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
[
  Ba  Ba0  2  0.2644  0.2500  0.0444  1
  Mn  Mn1  2  0.2667  0.7500  0.3094  1
  Sb  Sb2  2  0.2308  0.2500  0.4887  1
  S  S3  4  0.0428  0.0067  0.2741  1
  S  S4  2  0.3786  0.7500  0.0973  1
  S  S5  2  0.4514  0.7500  0.5843  1
]