# generated using pymatgen
data_Co2MoS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.04675252
_cell_length_b   5.04675252
_cell_length_c   10.31019160
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Co2MoS4
_chemical_formula_sum   'Co4 Mo2 S8'
_cell_volume   262.59760039
_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
  Co  Co0  1  0.50000000  0.00000000  0.25000000  1
  Co  Co1  1  0.00000000  0.00000000  0.00000000  1
  Co  Co2  1  0.00000000  0.50000000  0.75000000  1
  Co  Co3  1  0.50000000  0.50000000  0.50000000  1
  Mo  Mo4  1  0.00000000  0.50000000  0.25000000  1
  Mo  Mo5  1  0.50000000  0.00000000  0.75000000  1
  S  S6  1  0.25269100  0.76505500  0.12296000  1
  S  S7  1  0.26505500  0.24730900  0.37704000  1
  S  S8  1  0.73494500  0.75269100  0.37704000  1
  S  S9  1  0.74730900  0.23494500  0.12296000  1
  S  S10  1  0.75269100  0.26505500  0.62296000  1
  S  S11  1  0.76505500  0.74730900  0.87704000  1
  S  S12  1  0.23494500  0.25269100  0.87704000  1
  S  S13  1  0.24730900  0.73494500  0.62296000  1
