data_[Ba4Ga4S10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Ga  1.8100  1.3000  0.7600
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.9550]
_cell_length_b [5.2243]
_cell_length_c [7.2456]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.0172]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ba2Ga2S5]
_chemical_formula_sum '[Ba4 Ga4 S10]'
_cell_volume [471.3512]
_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  4  0.1032  0.5000  0.3030  1
  Ga  Ga1  4  0.1568  0.0000  0.8790  1
  S  S2  4  0.1432  0.0000  0.5644  1
  S  S3  4  0.1734  0.5000  0.9123  1
  S  S4  2  0.0000  0.0000  0.0000  1
]