data_NbCr2Si
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.79
_cell_length_b   4.13
_cell_length_c   4.84
_cell_angle_alpha   90.0
_cell_angle_beta   102.42
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbCr2Si
_chemical_formula_sum   'Nb1 Cr2 Si1'
_cell_volume   54.47
_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  Nb2  1  0.95  0.06  0.42  1.0
  Cr  Cr0  1  0.12  0.06  0.11  1.0
  Cr  Cr1  1  0.98  0.0  0.0  1.0
  Si  Si3  1  0.57  0.0  0.56  1.0

data_NbCr2Si
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.79
_cell_length_b   4.13
_cell_length_c   4.84
_cell_angle_alpha   90.0
_cell_angle_beta   102.42
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbCr2Si
_chemical_formula_sum   'Nb1 Cr2 Si1'
_cell_volume   54.47
_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  0.95  0.06  0.42  1.0
  Cr  Cr1  1  0.12  0.06  0.11  1.0
  Cr  Cr2  1  0.98  0.0  0.0  1.0
  Si  Si3  1  0.57  0.0  0.56  1.0

Nb Cr Cr Si