# generated using pymatgen
data_La3BCCl3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.77272800
_cell_length_b   8.35332800
_cell_length_c   11.37175295
_cell_angle_alpha   79.16298489
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La3BCCl3
_chemical_formula_sum   'La6 B2 C2 Cl6'
_cell_volume   351.98757859
_cell_formula_units_Z   2
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  0.25000000  0.79174700  0.88826600  1.0
  La  La1  1  0.25000000  0.39291900  0.81323200  1.0
  La  La2  1  0.75000000  0.20825300  0.11173400  1.0
  La  La3  1  0.25000000  0.28620100  0.39748000  1.0
  La  La4  1  0.75000000  0.60708100  0.18676800  1.0
  La  La5  1  0.75000000  0.71379900  0.60252000  1.0
  B  B6  1  0.25000000  0.46524900  0.04142900  1.0
  B  B7  1  0.75000000  0.53475100  0.95857100  1.0
  C  C8  1  0.75000000  0.60668200  0.81892200  1.0
  C  C9  1  0.25000000  0.39331800  0.18107800  1.0
  Cl  Cl10  1  0.25000000  0.64390600  0.40490100  1.0
  Cl  Cl11  1  0.75000000  0.35609400  0.59509900  1.0
  Cl  Cl12  1  0.25000000  0.90587600  0.12405600  1.0
  Cl  Cl13  1  0.25000000  0.96782900  0.63604600  1.0
  Cl  Cl14  1  0.75000000  0.03217100  0.36395400  1.0
  Cl  Cl15  1  0.75000000  0.09412400  0.87594400  1.0