data_Nb2CrSe4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.05
_cell_length_b   7.05
_cell_length_c   6.36
_cell_angle_alpha   114.81
_cell_angle_beta   114.81
_cell_angle_gamma   28.85
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb2CrSe4
_chemical_formula_sum   'Nb2 Cr1 Se4'
_cell_volume   137.46
_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  0.62  0.0  0.84  1.0
  Nb  Nb2  1  0.27  0.0  0.9  1.0
  Cr  Cr0  1  0.0  0.0  0.0  1.0
  Se  Se3  1  0.76  0.0  0.19  1.0
  Se  Se4  1  0.13  0.0  0.55  1.0
  Se  Se5  1  0.91  0.0  0.15  1.0
  Se  Se6  1  0.98  0.0  0.59  1.0

data_Nb2CrSe4
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.51
_cell_length_b   6.36
_cell_length_c   7.05
_cell_angle_alpha   114.81
_cell_angle_beta   104.43
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb2CrSe4
_chemical_formula_sum   'Nb2 Cr1 Se4'
_cell_volume   137.46
_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  0.84  0.62  1.0
  Nb  Nb1  1  0.0  0.9  0.27  1.0
  Cr  Cr2  1  0.0  0.0  0.0  1.0
  Se  Se3  1  0.0  0.15  0.91  1.0
  Se  Se4  1  0.0  0.19  0.76  1.0
  Se  Se5  1  0.0  0.55  0.13  1.0
  Se  Se6  1  0.0  0.59  0.98  1.0

Nb Nb Cr Se Se Se Se
Nb Nb Cr Se Se Se Se 0 2 + o + 0 5 o o + 0 3 o o + 1 4 o o o 1 6 - o o 1 2 o o + 2 5 - o o 3 5 o o o 4 6 - o o 