# generated using pymatgen
data_BaLaCuBO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.59760600
_cell_length_b   5.59760600
_cell_length_c   7.68543300
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaLaCuBO5
_chemical_formula_sum   'Ba2 La2 Cu2 B2 O10'
_cell_volume   240.80915495
_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
  Ba  Ba0  1  0.50000000  0.50000000  0.49591400  1.0
  Ba  Ba1  1  0.00000000  0.00000000  0.49591400  1.0
  La  La2  1  0.50000000  0.50000000  0.99000700  1.0
  La  La3  1  0.00000000  0.00000000  0.99000700  1.0
  Cu  Cu4  1  0.00000000  0.50000000  0.76312400  1.0
  Cu  Cu5  1  0.50000000  0.00000000  0.76312400  1.0
  B  B6  1  0.00000000  0.50000000  0.25464100  1.0
  B  B7  1  0.50000000  0.00000000  0.25464100  1.0
  O  O8  1  0.84595400  0.34595400  0.16740400  1.0
  O  O9  1  0.65404600  0.84595400  0.16740400  1.0
  O  O10  1  0.34595400  0.15404600  0.16740400  1.0
  O  O11  1  0.15404600  0.65404600  0.16740400  1.0
  O  O12  1  0.25186400  0.75186400  0.78011700  1.0
  O  O13  1  0.24813600  0.25186400  0.78011700  1.0
  O  O14  1  0.75186400  0.74813600  0.78011700  1.0
  O  O15  1  0.74813600  0.24813600  0.78011700  1.0
  O  O16  1  0.50000000  0.00000000  0.43627200  1.0
  O  O17  1  0.00000000  0.50000000  0.43627200  1.0