data_[Ba8Mn4Ga4S20]
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
  Ga  1.8100  1.3000  0.7600
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.0242]
_cell_length_b [17.9224]
_cell_length_c [12.6646]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Ba2MnGaS5]
_chemical_formula_sum '[Ba8 Mn4 Ga4 S20]'
_cell_volume [913.4052]
_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
[
  Ba  Ba0  4  0.0000  0.1232  0.6907  1.0
  Ba  Ba1  4  0.0000  0.1358  0.3130  1.0
  Mn  Mn2  4  0.0000  0.2104  0.0279  1.0
  Ga  Ga3  4  0.0000  0.4280  0.4360  1.0
  S  S4  4  0.0000  0.0720  0.0398  1.0
  S  S5  4  0.0000  0.2925  0.6428  1.0
  S  S6  4  0.0000  0.3079  0.3756  1.0
  S  S7  4  0.0000  0.3374  0.0067  1.0
  S  S8  4  0.0000  0.4996  0.7916  1.0
]