data_Nb2CrTe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.27
_cell_length_b   5.27
_cell_length_c   5.27
_cell_angle_alpha   136.48
_cell_angle_beta   136.48
_cell_angle_gamma   63.23
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb2CrTe
_chemical_formula_sum   'Nb2 Cr1 Te1'
_cell_volume   68.66
_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  0.95  0.0  0.25  1.0
  Nb  Nb2  1  0.0  0.0  0.49  1.0
  Cr  Cr0  1  0.0  0.0  0.0  1.0
  Te  Te3  1  0.0  0.95  0.25  1.0

data_Nb2CrTe
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.91
_cell_length_b   3.91
_cell_length_c   5.27
_cell_angle_alpha   111.76
_cell_angle_beta   111.76
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb2CrTe
_chemical_formula_sum   'Nb2 Cr1 Te1'
_cell_volume   68.66
_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  0.51  0.0  0.51  1.0
  Nb  Nb1  1  0.75  0.0  0.71  1.0
  Cr  Cr2  1  0.0  0.0  0.0  1.0
  Te  Te3  1  0.71  0.95  0.71  1.0

Nb Nb Cr Te
Nb Nb Cr Te 0 3 + - o 0 1 + o o 0 2 + o o 1 3 o - o 2 3 o - o 