data_Co5As2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.77
_cell_length_b   6.77
_cell_length_c   12.33
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Co5As2
_chemical_formula_sum   'Co30 As12'
_cell_volume   489.16
_cell_formula_units_Z   6
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  Co12  1  0.38  0.95  0.06  1.0
  Co  Co13  1  0.0  0.91  0.06  1.0
  Co  Co14  1  0.47  0.28  0.45  1.0
  Co  Co15  1  0.83  0.0  0.45  1.0
  Co  Co16  1  0.09  0.58  0.45  1.0
  Co  Co17  1  0.26  0.19  0.62  1.0
  Co  Co18  1  0.24  0.0  0.62  1.0
  Co  Co19  1  0.88  0.67  0.62  1.0
  Co  Co20  1  0.08  0.0  0.97  1.0
  Co  Co21  1  0.96  0.8  0.97  1.0
  Co  Co22  1  0.34  0.06  0.97  1.0
  Co  Co23  1  0.25  0.16  0.22  1.0
  Co  Co24  1  0.27  0.0  0.22  1.0
  Co  Co25  1  0.87  0.7  0.22  1.0
  Co  Co26  1  0.0  0.0  0.51  1.0
  Co  Co27  1  0.38  0.95  0.22  1.0
  Co  Co28  1  0.0  0.91  0.22  1.0
  Co  Co29  1  0.91  0.58  0.61  1.0
  Co  Co30  1  0.94  0.0  0.61  1.0
  Co  Co31  1  0.53  0.28  0.61  1.0
  Co  Co32  1  0.12  0.67  0.78  1.0
  Co  Co33  1  0.53  0.0  0.78  1.0
  Co  Co34  1  0.74  0.19  0.78  1.0
  Co  Co35  1  0.69  0.0  0.14  1.0
  Co  Co36  1  0.66  0.06  0.14  1.0
  Co  Co37  1  0.04  0.8  0.14  1.0
  Co  Co38  1  0.13  0.7  0.38  1.0
  Co  Co39  1  0.5  0.0  0.38  1.0
  Co  Co40  1  0.75  0.16  0.38  1.0
  Co  Co41  1  0.0  0.0  0.68  1.0
  As  As0  1  0.54  0.0  0.2  1.0
  As  As1  1  0.73  0.93  0.2  1.0
  As  As2  1  0.12  0.93  0.2  1.0
  As  As3  1  0.0  0.0  0.03  1.0
  As  As4  1  0.38  0.95  0.57  1.0
  As  As5  1  0.0  0.91  0.57  1.0
  As  As6  1  0.23  0.0  0.36  1.0
  As  As7  1  0.88  0.93  0.36  1.0
  As  As8  1  0.27  0.93  0.36  1.0
  As  As9  1  0.0  0.0  0.19  1.0
  As  As10  1  0.38  0.95  0.74  1.0
  As  As11  1  0.0  0.91  0.74  1.0

data_Co5As2
_symmetry_space_group_name_H-M   P1
_cell_length_a   6.77
_cell_length_b   6.77
_cell_length_c   12.33
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Co5As2
_chemical_formula_sum   'Co30 As12'
_cell_volume   489.16
_cell_formula_units_Z   6
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  0.0  0.0  0.51  1.0
  Co  Co1  1  0.0  0.0  0.68  1.0
  Co  Co2  1  0.0  0.91  0.06  1.0
  Co  Co3  1  0.0  0.91  0.22  1.0
  Co  Co4  1  0.04  0.8  0.14  1.0
  Co  Co5  1  0.08  0.0  0.97  1.0
  Co  Co6  1  0.09  0.58  0.45  1.0
  Co  Co7  1  0.12  0.67  0.78  1.0
  Co  Co8  1  0.13  0.7  0.38  1.0
  Co  Co9  1  0.24  0.0  0.62  1.0
  Co  Co10  1  0.25  0.16  0.22  1.0
  Co  Co11  1  0.26  0.19  0.62  1.0
  Co  Co12  1  0.27  0.0  0.22  1.0
  Co  Co13  1  0.34  0.06  0.97  1.0
  Co  Co14  1  0.38  0.95  0.06  1.0
  Co  Co15  1  0.38  0.95  0.22  1.0
  Co  Co16  1  0.47  0.28  0.45  1.0
  Co  Co17  1  0.5  0.0  0.38  1.0
  Co  Co18  1  0.53  0.0  0.78  1.0
  Co  Co19  1  0.53  0.28  0.61  1.0
  Co  Co20  1  0.66  0.06  0.14  1.0
  Co  Co21  1  0.69  0.0  0.14  1.0
  Co  Co22  1  0.74  0.19  0.78  1.0
  Co  Co23  1  0.75  0.16  0.38  1.0
  Co  Co24  1  0.83  0.0  0.45  1.0
  Co  Co25  1  0.87  0.7  0.22  1.0
  Co  Co26  1  0.88  0.67  0.62  1.0
  Co  Co27  1  0.91  0.58  0.61  1.0
  Co  Co28  1  0.94  0.0  0.61  1.0
  Co  Co29  1  0.96  0.8  0.97  1.0
  As  As30  1  0.0  0.0  0.03  1.0
  As  As31  1  0.0  0.0  0.19  1.0
  As  As32  1  0.0  0.91  0.57  1.0
  As  As33  1  0.0  0.91  0.74  1.0
  As  As34  1  0.12  0.93  0.2  1.0
  As  As35  1  0.23  0.0  0.36  1.0
  As  As36  1  0.27  0.93  0.36  1.0
  As  As37  1  0.38  0.95  0.57  1.0
  As  As38  1  0.38  0.95  0.74  1.0
  As  As39  1  0.54  0.0  0.2  1.0
  As  As40  1  0.73  0.93  0.2  1.0
  As  As41  1  0.88  0.93  0.36  1.0

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