data_Nb3Cr8Si
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.85
_cell_length_b   4.85
_cell_length_c   7.96
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb3Cr8Si
_chemical_formula_sum   'Nb3 Cr8 Si1'
_cell_volume   162.09
_cell_formula_units_Z   1
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  0.42  0.4  0.54  1.0
  Nb  Nb1  1  0.42  0.4  0.47  1.0
  Nb  Nb2  1  0.0  0.0  0.42  1.0
  Cr  Cr3  1  1.0  0.8  0.98  1.0
  Cr  Cr4  1  1.0  0.8  0.0  1.0
  Cr  Cr5  1  0.23  0.09  0.94  1.0
  Cr  Cr6  1  0.62  0.09  0.94  1.0
  Cr  Cr7  1  0.42  0.02  0.94  1.0
  Cr  Cr8  1  0.75  0.52  0.02  1.0
  Cr  Cr9  1  0.25  0.52  0.02  1.0
  Cr  Cr10  1  1.0  0.36  0.02  1.0
  Si  Si11  1  0.0  0.0  0.48  1.0

data_Nb3Cr8Si
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.85
_cell_length_b   4.85
_cell_length_c   7.96
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb3Cr8Si
_chemical_formula_sum   'Nb3 Cr8 Si1'
_cell_volume   162.09
_cell_formula_units_Z   1
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  0.0  0.0  0.42  1.0
  Nb  Nb1  1  0.42  0.4  0.47  1.0
  Nb  Nb2  1  0.42  0.4  0.54  1.0
  Cr  Cr3  1  0.23  0.09  0.94  1.0
  Cr  Cr4  1  0.25  0.52  0.02  1.0
  Cr  Cr5  1  0.42  0.02  0.94  1.0
  Cr  Cr6  1  0.62  0.09  0.94  1.0
  Cr  Cr7  1  0.75  0.52  0.02  1.0
  Cr  Cr8  1  1.0  0.36  0.02  1.0
  Cr  Cr9  1  1.0  0.8  0.0  1.0
  Cr  Cr10  1  1.0  0.8  0.98  1.0
  Si  Si11  1  0.0  0.0  0.48  1.0

Nb Nb Nb Cr Cr Cr Cr Cr Cr Cr Cr Si