# generated using pymatgen
data_Ba(Mo3S4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.71685884
_cell_length_b   6.71685906
_cell_length_c   6.71685956
_cell_angle_alpha   88.76029447
_cell_angle_beta   88.76028191
_cell_angle_gamma   88.76028074
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba(Mo3S4)2
_chemical_formula_sum   'Ba1 Mo6 S8'
_cell_volume   302.82936156
_cell_formula_units_Z   1
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  1  0.00000000  0.00000000  -0.00000000  1.0
  Mo  Mo1  1  0.43479538  0.76056255  0.58211097  1.0
  Mo  Mo2  1  0.76056255  0.58211097  0.43479538  1.0
  Mo  Mo3  1  0.58211097  0.43479538  0.76056255  1.0
  Mo  Mo4  1  0.56520462  0.23943745  0.41788903  1.0
  Mo  Mo5  1  0.23943745  0.41788903  0.56520462  1.0
  Mo  Mo6  1  0.41788903  0.56520462  0.23943745  1.0
  S  S7  1  0.74634671  0.74634671  0.74634671  1.0
  S  S8  1  0.25365329  0.25365329  0.25365329  1.0
  S  S9  1  0.60895808  0.87664477  0.26972176  1.0
  S  S10  1  0.87664477  0.26972176  0.60895808  1.0
  S  S11  1  0.26972176  0.60895808  0.87664477  1.0
  S  S12  1  0.39104192  0.12335523  0.73027824  1.0
  S  S13  1  0.12335523  0.73027824  0.39104192  1.0
  S  S14  1  0.73027824  0.39104192  0.12335523  1.0