data_BaNb2Ga
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.55
_cell_length_b   5.55
_cell_length_c   5.69
_cell_angle_alpha   99.25
_cell_angle_beta   99.25
_cell_angle_gamma   33.52
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaNb2Ga
_chemical_formula_sum   'Ba1 Nb2 Ga1'
_cell_volume   95.19
_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
  Ba  Ba0  1  0.82  0.0  0.8  1.0
  Nb  Nb2  1  0.67  0.0  0.59  1.0
  Nb  Nb3  1  0.96  0.0  0.24  1.0
  Ga  Ga1  1  0.72  0.0  0.38  1.0

data_BaNb2Ga
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.2
_cell_length_b   5.55
_cell_length_c   5.69
_cell_angle_alpha   99.25
_cell_angle_beta   90.0
_cell_angle_gamma   106.76
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaNb2Ga
_chemical_formula_sum   'Ba1 Nb2 Ga1'
_cell_volume   95.19
_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
  Ba  Ba0  1  0.0  0.18  0.2  1.0
  Nb  Nb1  1  0.0  0.04  0.76  1.0
  Nb  Nb2  1  0.0  0.33  0.41  1.0
  Ga  Ga3  1  0.0  0.28  0.62  1.0

Ba Nb Nb Ga
Ba Nb Nb Ga 0 1 o o o 1 3 o o o 2 3 o o o 