# generated using pymatgen
data_LuPaB4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.19757865
_cell_length_b   3.19757907
_cell_length_c   7.83964147
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00001612
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LuPaB4
_chemical_formula_sum   'Lu1 Pa1 B4'
_cell_volume   69.41755164
_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  0.50000000  1.0
  Pa  Pa1  1  0.00000000  0.00000000  0.00000000  1.0
  B  B2  1  0.66666700  0.33333500  0.26157276  1.0
  B  B3  1  0.33333300  0.66666600  0.26157276  1.0
  B  B4  1  0.66666700  0.33333500  0.73842624  1.0
  B  B5  1  0.33333300  0.66666600  0.73842624  1.0