# generated using pymatgen
data_BaCuBPt3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.67007224
_cell_length_b   5.67009821
_cell_length_c   7.25350323
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99963729
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaCuBPt3
_chemical_formula_sum   'Ba2 Cu2 B2 Pt6'
_cell_volume   201.95713521
_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  0.00000000  0.00000000  0.50000000  1.0
  Ba  Ba1  1  0.00000000  0.00000000  0.00000000  1.0
  Cu  Cu2  1  0.66670484  0.33334030  0.00000000  1.0
  Cu  Cu3  1  0.33329516  0.66665970  0.00000000  1.0
  B  B4  1  0.66666542  0.33333241  0.50000000  1.0
  B  B5  1  0.33333458  0.66666759  0.50000000  1.0
  Pt  Pt6  1  0.50000000  0.50000000  0.70742329  1.0
  Pt  Pt7  1  0.50000000  0.00000000  0.70742305  1.0
  Pt  Pt8  1  0.00000000  0.50000000  0.70741944  1.0
  Pt  Pt9  1  0.50000000  0.50000000  0.29257671  1.0
  Pt  Pt10  1  0.50000000  0.00000000  0.29257695  1.0
  Pt  Pt11  1  0.00000000  0.50000000  0.29258056  1.0