data_LaNb2Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.17
_cell_length_b   3.17
_cell_length_c   9.81
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   122.42
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaNb2Cl
_chemical_formula_sum   'La1 Nb2 Cl1'
_cell_volume   83.35
_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
  La  La1  1  0.0  0.0  0.91  1.0
  Nb  Nb2  1  0.53  0.0  0.64  1.0
  Nb  Nb3  1  0.53  0.0  0.17  1.0
  Cl  Cl0  1  0.0  0.0  0.0  1.0

data_LaNb2Cl
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.06
_cell_length_b   3.17
_cell_length_c   9.81
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   118.79
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaNb2Cl
_chemical_formula_sum   'La1 Nb2 Cl1'
_cell_volume   83.35
_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
  La  La0  1  0.0  0.0  0.91  1.0
  Nb  Nb1  1  0.0  0.53  0.17  1.0
  Nb  Nb2  1  0.0  0.53  0.64  1.0
  Cl  Cl3  1  0.0  0.0  0.0  1.0

La Nb Nb Cl