# generated using pymatgen
data_Ca(Mo3S4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.54570013
_cell_length_b   6.54570013
_cell_length_c   6.54570044
_cell_angle_alpha   89.73269999
_cell_angle_beta   89.73270007
_cell_angle_gamma   89.73270455
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca(Mo3S4)2
_chemical_formula_sum   'Ca1 Mo6 S8'
_cell_volume   280.44919814
_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
  Ca  Ca0  1  0.00000000  -0.00000000  0.00000000  1.0
  Mo  Mo1  1  0.58193042  0.77075183  0.44011084  1.0
  Mo  Mo2  1  0.44011084  0.58193042  0.77075183  1.0
  Mo  Mo3  1  0.22924817  0.55988916  0.41806958  1.0
  Mo  Mo4  1  0.41806958  0.22924817  0.55988916  1.0
  Mo  Mo5  1  0.55988916  0.41806958  0.22924817  1.0
  Mo  Mo6  1  0.77075183  0.44011084  0.58193042  1.0
  S  S7  1  0.75975669  0.75975669  0.75975669  1.0
  S  S8  1  0.24024331  0.24024331  0.24024331  1.0
  S  S9  1  0.62172318  0.25750916  0.87344693  1.0
  S  S10  1  0.87344693  0.62172318  0.25750916  1.0
  S  S11  1  0.25750916  0.87344693  0.62172318  1.0
  S  S12  1  0.37827682  0.74249084  0.12655307  1.0
  S  S13  1  0.12655307  0.37827682  0.74249084  1.0
  S  S14  1  0.74249084  0.12655307  0.37827682  1.0