# generated using pymatgen
data_BaMo6HS7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.59662217
_cell_length_b   6.59662273
_cell_length_c   6.59662179
_cell_angle_alpha   90.77570264
_cell_angle_beta   90.77570084
_cell_angle_gamma   90.77569463
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaMo6HS7
_chemical_formula_sum   'Ba1 Mo6 H1 S7'
_cell_volume   286.97517857
_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  0.03179458  0.03179458  0.03179458  1.0
  Mo  Mo1  1  0.55191540  0.23137640  0.40795125  1.0
  Mo  Mo2  1  0.23137640  0.40795125  0.55191540  1.0
  Mo  Mo3  1  0.40795125  0.55191540  0.23137640  1.0
  Mo  Mo4  1  0.43484469  0.75790387  0.58335713  1.0
  Mo  Mo5  1  0.75790387  0.58335713  0.43484469  1.0
  Mo  Mo6  1  0.58335713  0.43484469  0.75790387  1.0
  H  H7  1  0.28371142  0.28371142  0.28371142  1.0
  S  S8  1  0.75724288  0.75724288  0.75724288  1.0
  S  S9  1  0.38448849  0.11913544  0.72362964  1.0
  S  S10  1  0.11913544  0.72362964  0.38448849  1.0
  S  S11  1  0.72362964  0.38448849  0.11913544  1.0
  S  S12  1  0.59921547  0.87408387  0.25934947  1.0
  S  S13  1  0.87408387  0.25934947  0.59921547  1.0
  S  S14  1  0.25934947  0.59921547  0.87408387  1.0