data_NbCr2Se
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.01
_cell_length_b   5.01
_cell_length_c   4.17
_cell_angle_alpha   111.68
_cell_angle_beta   111.68
_cell_angle_gamma   36.35
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbCr2Se
_chemical_formula_sum   'Nb1 Cr2 Se1'
_cell_volume   57.17
_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  0.0  0.92  1.0
  Cr  Cr0  1  0.16  0.0  1.0  1.0
  Cr  Cr1  1  0.74  0.0  0.84  1.0
  Se  Se3  1  0.0  0.0  0.0  1.0

data_NbCr2Se
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.13
_cell_length_b   4.17
_cell_length_c   5.01
_cell_angle_alpha   111.68
_cell_angle_beta   108.17
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbCr2Se
_chemical_formula_sum   'Nb1 Cr2 Se1'
_cell_volume   57.17
_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  0.92  0.95  1.0
  Cr  Cr1  1  0.0  0.84  0.74  1.0
  Cr  Cr2  1  0.0  1.0  0.16  1.0
  Se  Se3  1  0.0  0.0  0.0  1.0

Nb Cr Cr Se