data_CaInCo6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.65
_cell_length_b   6.65
_cell_length_c   10.83
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   110.99
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaInCo6
_chemical_formula_sum   'Ca4 In4 Co24'
_cell_volume   447.36
_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
  Ca  Ca0  1  0.77  0.22  0.0  1.0
  Ca  Ca1  1  0.77  0.78  0.0  1.0
  Ca  Ca2  1  0.0  0.0  0.02  1.0
  Ca  Ca3  1  0.0  0.0  0.81  1.0
  In  In28  1  0.77  0.11  0.42  1.0
  In  In29  1  0.77  0.89  0.42  1.0
  In  In30  1  0.77  0.0  0.07  1.0
  In  In31  1  0.77  0.0  0.76  1.0
  Co  Co4  1  0.77  0.36  0.05  1.0
  Co  Co5  1  0.95  0.78  0.53  1.0
  Co  Co6  1  0.59  0.22  0.53  1.0
  Co  Co7  1  0.77  0.64  0.05  1.0
  Co  Co8  1  0.59  0.78  0.53  1.0
  Co  Co9  1  0.95  0.22  0.53  1.0
  Co  Co10  1  0.0  0.0  0.42  1.0
  Co  Co11  1  0.53  0.46  0.73  1.0
  Co  Co12  1  0.53  0.54  0.73  1.0
  Co  Co13  1  0.77  0.36  0.78  1.0
  Co  Co14  1  0.0  0.54  0.11  1.0
  Co  Co15  1  0.53  0.46  0.11  1.0
  Co  Co16  1  0.77  0.64  0.78  1.0
  Co  Co17  1  0.53  0.54  0.11  1.0
  Co  Co18  1  0.0  0.46  0.11  1.0
  Co  Co19  1  0.0  0.0  0.0  1.0
  Co  Co20  1  0.59  0.22  0.31  1.0
  Co  Co21  1  0.59  0.78  0.31  1.0
  Co  Co22  1  0.77  0.0  0.42  1.0
  Co  Co23  1  0.0  0.46  0.73  1.0
  Co  Co24  1  0.0  0.54  0.73  1.0
  Co  Co25  1  0.77  0.0  0.0  1.0
  Co  Co26  1  0.95  0.22  0.31  1.0
  Co  Co27  1  0.95  0.78  0.31  1.0

data_CaInCo6
_symmetry_space_group_name_H-M   P1
_cell_length_a   6.65
_cell_length_b   6.65
_cell_length_c   10.83
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   110.99
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaInCo6
_chemical_formula_sum   'Ca4 In4 Co24'
_cell_volume   447.36
_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
  Ca  Ca0  1  0.0  0.0  0.02  1.0
  Ca  Ca1  1  0.0  0.0  0.81  1.0
  Ca  Ca2  1  0.77  0.22  0.0  1.0
  Ca  Ca3  1  0.77  0.78  0.0  1.0
  In  In4  1  0.77  0.0  0.07  1.0
  In  In5  1  0.77  0.0  0.76  1.0
  In  In6  1  0.77  0.11  0.42  1.0
  In  In7  1  0.77  0.89  0.42  1.0
  Co  Co8  1  0.0  0.0  0.0  1.0
  Co  Co9  1  0.0  0.0  0.42  1.0
  Co  Co10  1  0.0  0.46  0.11  1.0
  Co  Co11  1  0.0  0.46  0.73  1.0
  Co  Co12  1  0.0  0.54  0.11  1.0
  Co  Co13  1  0.0  0.54  0.73  1.0
  Co  Co14  1  0.53  0.46  0.11  1.0
  Co  Co15  1  0.53  0.46  0.73  1.0
  Co  Co16  1  0.53  0.54  0.11  1.0
  Co  Co17  1  0.53  0.54  0.73  1.0
  Co  Co18  1  0.59  0.22  0.31  1.0
  Co  Co19  1  0.59  0.22  0.53  1.0
  Co  Co20  1  0.59  0.78  0.31  1.0
  Co  Co21  1  0.59  0.78  0.53  1.0
  Co  Co22  1  0.77  0.0  0.0  1.0
  Co  Co23  1  0.77  0.0  0.42  1.0
  Co  Co24  1  0.77  0.36  0.05  1.0
  Co  Co25  1  0.77  0.36  0.78  1.0
  Co  Co26  1  0.77  0.64  0.05  1.0
  Co  Co27  1  0.77  0.64  0.78  1.0
  Co  Co28  1  0.95  0.22  0.31  1.0
  Co  Co29  1  0.95  0.22  0.53  1.0
  Co  Co30  1  0.95  0.78  0.31  1.0
  Co  Co31  1  0.95  0.78  0.53  1.0

Ca Ca Ca Ca In In In In Co Co Co Co Co Co Co Co Co Co Co Co Co Co Co Co Co Co Co Co Co Co Co Co