data_LaNb2CuClO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.92
_cell_length_b   3.92
_cell_length_c   11.84
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaNb2CuClO7
_chemical_formula_sum   'La1 Nb2 Cu1 Cl1 O7'
_cell_volume   182.19
_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
  La  La0  1  0.96  0.96  0.0  1.0
  Nb  Nb1  1  0.0  0.0  0.55  1.0
  Nb  Nb2  1  0.0  0.0  0.29  1.0
  Cu  Cu3  1  0.0  0.0  0.92  1.0
  Cl  Cl4  1  0.96  0.96  0.92  1.0
  O  O5  1  0.96  0.0  0.85  1.0
  O  O6  1  0.0  0.0  0.75  1.0
  O  O7  1  0.96  0.0  1.0  1.0
  O  O8  1  0.0  0.0  0.09  1.0
  O  O9  1  0.0  0.96  0.85  1.0
  O  O10  1  0.0  0.96  1.0  1.0
  O  O11  1  0.0  0.0  0.0  1.0

data_LaNb2CuClO7
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.55
_cell_length_b   5.55
_cell_length_c   11.84
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   LaNb2CuClO7
_chemical_formula_sum   'La2 Nb4 Cu2 Cl2 O14'
_cell_volume   364.39
_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
  La  La0  2  0.46  0.5  -0.0  1.0
  Nb  Nb1  2  0.0  0.0  0.29  1.0
  Nb  Nb2  2  0.0  0.0  0.55  1.0
  Cu  Cu3  2  0.0  0.0  0.92  1.0
  Cl  Cl4  2  0.46  0.5  0.92  1.0
  O  O5  4  0.48  0.48  0.85  1.0
  O  O6  4  0.48  0.48  1.0  1.0
  O  O7  2  0.0  0.0  0.0  1.0
  O  O8  2  0.0  0.0  0.09  1.0
  O  O9  2  0.0  0.0  0.75  1.0

La Nb Nb Cu Cl O O O O O O O
La Nb Nb Cu Cl O O O O O O O 0 7 o + - 0 10 + o - 0 8 + + o 1 6 o o o 2 8 o o o 3 4 - - o 5 9 + - o 5 6 + o o 6 9 o - o 7 11 + o + 7 8 + o + 8 10 o - - 8 11 o o o 10 11 o + + 