data_Nb2GaTe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.41
_cell_length_b   5.41
_cell_length_c   5.41
_cell_angle_alpha   136.23
_cell_angle_beta   136.23
_cell_angle_gamma   63.63
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb2GaTe
_chemical_formula_sum   'Nb2 Ga1 Te1'
_cell_volume   74.72
_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  0.02  0.0  0.3  1.0
  Nb  Nb2  1  0.0  0.0  0.6  1.0
  Ga  Ga0  1  0.0  0.0  0.0  1.0
  Te  Te3  1  0.0  0.02  0.3  1.0

data_Nb2GaTe
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.7
_cell_length_b   5.7
_cell_length_c   5.41
_cell_angle_alpha   90.0
_cell_angle_beta   121.81
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Nb2GaTe
_chemical_formula_sum   'Nb4 Ga2 Te2'
_cell_volume   149.45
_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  0.0  0.0  0.6  1.0
  Nb  Nb1  2  0.49  0.5  0.28  1.0
  Ga  Ga2  2  0.0  0.0  0.0  1.0
  Te  Te3  2  0.49  0.5  0.28  1.0

Nb Nb Ga Te
Nb Nb Ga Te 0 3 o o o 0 1 o o o 0 2 o o o 1 3 o o o 2 3 o o o 