data_NbGaSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.0
_cell_length_b   8.0
_cell_length_c   8.0
_cell_angle_alpha   155.86
_cell_angle_beta   154.92
_cell_angle_gamma   35.09
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbGaSe2
_chemical_formula_sum   'Nb1 Ga1 Se2'
_cell_volume   88.69
_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  0.74  0.65  1.0
  Ga  Ga0  1  0.0  0.0  0.18  1.0
  Se  Se2  1  0.0  0.0  0.24  1.0
  Se  Se3  1  0.67  0.0  0.44  1.0

data_NbGaSe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.35
_cell_length_b   3.47
_cell_length_c   8.0
_cell_angle_alpha   102.54
_cell_angle_beta   102.07
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbGaSe2
_chemical_formula_sum   'Nb1 Ga1 Se2'
_cell_volume   88.69
_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  0.26  0.91  0.91  1.0
  Ga  Ga1  1  0.0  0.18  0.18  1.0
  Se  Se2  1  0.0  0.24  0.24  1.0
  Se  Se3  1  0.0  0.44  0.77  1.0

Nb Ga Se Se