data_LaNb2CuClO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.96
_cell_length_b   11.82
_cell_length_c   3.94
_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   184.42
_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  0.98  0.0  0.94  1.0
  Nb  Nb1  1  0.0  0.25  0.96  1.0
  Nb  Nb2  1  0.0  0.57  0.96  1.0
  Cu  Cu3  1  0.0  0.91  0.16  1.0
  Cl  Cl4  1  0.98  0.91  0.4  1.0
  O  O5  1  0.0  0.81  0.94  1.0
  O  O6  1  0.98  0.81  0.97  1.0
  O  O7  1  0.0  0.01  0.94  1.0
  O  O8  1  0.98  0.01  0.97  1.0
  O  O9  1  0.0  0.0  0.97  1.0
  O  O10  1  0.0  0.06  0.91  1.0
  O  O11  1  0.0  0.76  0.91  1.0

data_LaNb2CuClO7
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.94
_cell_length_b   3.96
_cell_length_c   11.82
_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   184.42
_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  0.94  0.98  0.0  1.0
  Nb  Nb1  1  0.96  0.0  0.25  1.0
  Nb  Nb2  1  0.96  0.0  0.57  1.0
  Cu  Cu3  1  0.16  0.0  0.91  1.0
  Cl  Cl4  1  0.4  0.98  0.91  1.0
  O  O5  1  0.91  0.0  0.06  1.0
  O  O6  1  0.91  0.0  0.76  1.0
  O  O7  1  0.94  0.0  0.01  1.0
  O  O8  1  0.94  0.0  0.81  1.0
  O  O9  1  0.97  0.0  0.0  1.0
  O  O10  1  0.97  0.98  0.01  1.0
  O  O11  1  0.97  0.98  0.81  1.0

La Nb Nb Cu Cl O O O O O O O