data_Nb2CrIn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.2
_cell_length_b   5.2
_cell_length_c   5.2
_cell_angle_alpha   135.11
_cell_angle_beta   135.11
_cell_angle_gamma   65.36
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb2CrIn
_chemical_formula_sum   'Nb2 Cr1 In1'
_cell_volume   69.0
_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  0.0  0.0  0.38  1.0
  Nb  Nb3  1  0.0  0.99  0.19  1.0
  Cr  Cr0  1  0.0  0.0  0.0  1.0
  In  In1  1  0.99  0.0  0.19  1.0

data_Nb2CrIn
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.62
_cell_length_b   5.62
_cell_length_c   5.2
_cell_angle_alpha   90.0
_cell_angle_beta   122.68
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Nb2CrIn
_chemical_formula_sum   'Nb4 Cr2 In2'
_cell_volume   138.0
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.12  0.5  0.62  1.0
  Nb  Nb1  2  0.3  0.5  0.8  1.0
  Cr  Cr2  2  0.0  0.0  0.0  1.0
  In  In3  2  0.3  0.5  0.8  1.0

Nb Nb Cr In