data_Nb2CrSi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.94
_cell_length_b   5.08
_cell_length_c   5.08
_cell_angle_alpha   37.72
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb2CrSi
_chemical_formula_sum   'Nb2 Cr1 Si1'
_cell_volume   62.14
_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  Nb1  1  0.0  0.0  0.57  1.0
  Nb  Nb2  1  0.97  0.0  0.81  1.0
  Cr  Cr0  1  0.97  0.0  0.25  1.0
  Si  Si3  1  0.0  0.0  0.65  1.0

data_Nb2CrSi
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.28
_cell_length_b   3.94
_cell_length_c   5.08
_cell_angle_alpha   90.0
_cell_angle_beta   108.86
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb2CrSi
_chemical_formula_sum   'Nb2 Cr1 Si1'
_cell_volume   62.14
_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  0.19  0.97  0.19  1.0
  Nb  Nb1  1  0.43  0.0  0.43  1.0
  Cr  Cr2  1  0.75  0.97  0.75  1.0
  Si  Si3  1  0.35  0.0  0.35  1.0

Nb Nb Cr Si