data_NbCo4Si
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.56
_cell_length_b   5.56
_cell_length_c   4.91
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbCo4Si
_chemical_formula_sum   'Nb2 Co8 Si2'
_cell_volume   151.6
_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
  Nb  Nb8  1  0.78  0.78  0.23  1.0
  Nb  Nb9  1  0.78  0.78  0.68  1.0
  Co  Co0  1  0.7  0.67  0.0  1.0
  Co  Co1  1  0.86  0.89  0.0  1.0
  Co  Co2  1  0.89  0.7  0.0  1.0
  Co  Co3  1  0.67  0.86  0.0  1.0
  Co  Co4  1  0.86  0.67  0.45  1.0
  Co  Co5  1  0.7  0.89  0.45  1.0
  Co  Co6  1  0.67  0.7  0.45  1.0
  Co  Co7  1  0.89  0.86  0.45  1.0
  Si  Si10  1  0.0  0.0  0.23  1.0
  Si  Si11  1  0.0  0.0  0.68  1.0

data_NbCo4Si
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.91
_cell_length_b   5.56
_cell_length_c   5.56
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbCo4Si
_chemical_formula_sum   'Nb2 Co8 Si2'
_cell_volume   151.6
_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
  Nb  Nb0  1  0.23  0.78  0.78  1.0
  Nb  Nb1  1  0.68  0.78  0.78  1.0
  Co  Co2  1  -0.0  0.86  0.89  1.0
  Co  Co3  1  -0.0  0.89  0.7  1.0
  Co  Co4  1  -0.0  0.67  0.86  1.0
  Co  Co5  1  -0.0  0.7  0.67  1.0
  Co  Co6  1  0.45  0.67  0.7  1.0
  Co  Co7  1  0.45  0.7  0.89  1.0
  Co  Co8  1  0.45  0.86  0.67  1.0
  Co  Co9  1  0.45  0.89  0.86  1.0
  Si  Si10  1  0.23  0.0  0.0  1.0
  Si  Si11  1  0.68  0.0  0.0  1.0

Nb Nb Co Co Co Co Co Co Co Co Si Si