[CIF]
data_CoAsS
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.57871429
_cell_length_b   5.61311804
_cell_length_c   5.61832496
_cell_angle_alpha   90.00000000
_cell_angle_beta   92.55392687
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoAsS
_chemical_formula_sum   'Co4 As4 S4'
_cell_volume   175.75737662
_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
  S  S0  1  4.84416977  2.14427121  0.63904367  1
  S  S1  1  0.48419379  3.46884683  4.97370075  1
  S  S2  1  0.60936916  4.95083023  2.16732854  1
  S  S3  1  4.71899440  0.66228781  3.44541588  1
  Co  Co4  1  2.78935714  2.80655902  0.00000000  1
  Co  Co5  1  -0.12517536  2.80655902  2.80637221  1
  Co  Co6  1  0.00000000  0.00000000  0.00000000  1
  Co  Co7  1  2.66418178  0.00000000  2.80637221  1
  As  As8  1  1.88316642  0.69498108  4.89560934  1
  As  As9  1  3.44519714  4.91813696  0.71713508  1
  As  As10  1  2.00834178  2.11157794  2.08923713  1
  As  As11  1  3.32002178  3.50154010  3.52350729  1
[/CIF]
