# generated using pymatgen
data_K3MoS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.25119822
_cell_length_b   9.44307387
_cell_length_c   10.55325318
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K3MoS4
_chemical_formula_sum   'K12 Mo4 S16'
_cell_volume   921.92953993
_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
  K  K0  1  0.94358308  0.70826219  0.00713154  1.0
  K  K1  1  0.05641692  0.29173781  0.50713154  1.0
  K  K2  1  0.55641692  0.20826219  0.50713154  1.0
  K  K3  1  0.44358308  0.79173781  0.00713154  1.0
  K  K4  1  0.94272106  0.70935290  0.41944685  1.0
  K  K5  1  0.05727894  0.29064710  0.91944685  1.0
  K  K6  1  0.55727894  0.20935290  0.91944685  1.0
  K  K7  1  0.44272106  0.79064710  0.41944685  1.0
  K  K8  1  0.63560567  0.42423226  0.21368199  1.0
  K  K9  1  0.36439433  0.57576774  0.71368199  1.0
  K  K10  1  0.86439433  0.92423226  0.71368199  1.0
  K  K11  1  0.13560567  0.07576774  0.21368199  1.0
  Mo  Mo12  1  0.71706094  0.98667259  0.21296925  1.0
  Mo  Mo13  1  0.28293906  0.01332741  0.71296925  1.0
  Mo  Mo14  1  0.78293906  0.48667259  0.71296925  1.0
  Mo  Mo15  1  0.21706094  0.51332741  0.21296925  1.0
  S  S16  1  0.69291238  0.75088534  0.21332898  1.0
  S  S17  1  0.30708762  0.24911466  0.71332898  1.0
  S  S18  1  0.80708762  0.25088534  0.71332898  1.0
  S  S19  1  0.19291238  0.74911466  0.21332898  1.0
  S  S20  1  0.83359147  0.04546104  0.03551248  1.0
  S  S21  1  0.16640853  0.95453896  0.53551248  1.0
  S  S22  1  0.66640853  0.54546104  0.53551248  1.0
  S  S23  1  0.33359147  0.45453896  0.03551248  1.0
  S  S24  1  0.49881102  0.09072128  0.21283020  1.0
  S  S25  1  0.50118898  0.90927872  0.71283020  1.0
  S  S26  1  0.00118898  0.59072128  0.71283020  1.0
  S  S27  1  0.99881102  0.40927872  0.21283020  1.0
  S  S28  1  0.83248661  0.04695628  0.39049871  1.0
  S  S29  1  0.16751339  0.95304372  0.89049871  1.0
  S  S30  1  0.66751339  0.54695628  0.89049871  1.0
  S  S31  1  0.33248661  0.45304372  0.39049871  1.0