# generated using pymatgen
data_Co3S
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.37000000
_cell_length_b   6.72900000
_cell_length_c   4.87300000
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Co3S
_chemical_formula_sum   'Co12 S4'
_cell_volume   176.08453929
_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
  Co  Co0  1  0.68390000  0.55949000  0.82599000  1
  Co  Co1  1  0.31610000  0.44051000  0.17401000  1
  Co  Co2  1  0.81610000  0.44051000  0.32599000  1
  Co  Co3  1  0.18390000  0.55949000  0.67401000  1
  Co  Co4  1  0.31610000  0.05949000  0.17401000  1
  Co  Co5  1  0.68390000  0.94051000  0.82599000  1
  Co  Co6  1  0.18390000  0.94051000  0.67401000  1
  Co  Co7  1  0.81610000  0.05949000  0.32599000  1
  Co  Co8  1  0.49074000  0.25000000  0.61285000  1
  Co  Co9  1  0.50926000  0.75000000  0.38715000  1
  Co  Co10  1  0.00926000  0.75000000  0.11285000  1
  Co  Co11  1  0.99074000  0.25000000  0.88715000  1
  S  S12  1  0.61574000  0.25000000  0.03122000  1
  S  S13  1  0.38426000  0.75000000  0.96878000  1
  S  S14  1  0.88426000  0.75000000  0.53122000  1
  S  S15  1  0.11574000  0.25000000  0.46878000  1
