# generated using pymatgen
data_LuBPt3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.90660209
_cell_length_b   3.90660209
_cell_length_c   5.06184337
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LuBPt3
_chemical_formula_sum   'Lu1 B1 Pt3'
_cell_volume   77.25152437
_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
  Lu  Lu0  1  0.00000000  0.00000000  0.96740863  1.0
  B  B1  1  0.50000000  0.50000000  0.69809799  1.0
  Pt  Pt2  1  0.00000000  0.50000000  0.50062639  1.0
  Pt  Pt3  1  0.50000000  0.50000000  0.10114059  1.0
  Pt  Pt4  1  0.50000000  0.00000000  0.50062639  1.0