# generated using pymatgen
data_La4B4Cl5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.27157770
_cell_length_b   8.60112894
_cell_length_c   9.07115927
_cell_angle_alpha   63.45399278
_cell_angle_beta   76.38193718
_cell_angle_gamma   75.62217293
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La4B4Cl5
_chemical_formula_sum   'La4 B4 Cl5'
_cell_volume   285.80944133
_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  0.83975677  0.08176792  0.23871854  1.0
  La  La1  1  0.43734605  0.32851262  0.79679427  1.0
  La  La2  1  0.56265395  0.67148738  0.20320573  1.0
  La  La3  1  0.16024323  0.91823208  0.76128146  1.0
  B  B4  1  0.97563497  0.12504672  0.92368234  1.0
  B  B5  1  0.68449021  1.00000000  1.00000000  1.0
  B  B6  1  0.02436503  0.87495328  0.07631766  1.0
  B  B7  1  0.31550979  0.00000000  0.00000000  1.0
  Cl  Cl8  1  0.75401218  0.64383865  0.84813600  1.0
  Cl  Cl9  1  0.00000000  0.50000000  0.50000000  1.0
  Cl  Cl10  1  0.64834465  0.15083065  0.55248105  1.0
  Cl  Cl11  1  0.35165535  0.84916935  0.44751895  1.0
  Cl  Cl12  1  0.24598782  0.35616135  0.15186400  1.0