# generated using pymatgen
data_LuPO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.12053613
_cell_length_b   7.12053613
_cell_length_c   7.12053613
_cell_angle_alpha   127.74753637
_cell_angle_beta   127.74753637
_cell_angle_gamma   77.03436746
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LuPO2
_chemical_formula_sum   'Lu4 P4 O8'
_cell_volume   219.09644893
_cell_formula_units_Z   4
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  0.87500000  0.62500000  0.25000000  1.0
  Lu  Lu1  1  0.37500000  0.62500000  0.75000000  1.0
  Lu  Lu2  1  0.37500000  0.62500000  0.25000000  1.0
  Lu  Lu3  1  0.37500000  0.12500000  0.75000000  1.0
  P  P4  1  0.37500000  0.12500000  0.25000000  1.0
  P  P5  1  0.87500000  0.12500000  0.75000000  1.0
  P  P6  1  0.87500000  0.12500000  0.25000000  1.0
  P  P7  1  0.87500000  0.62500000  0.75000000  1.0
  O  O8  1  0.16988000  0.42469800  0.25481700  1.0
  O  O9  1  0.16988000  0.91506300  0.74518300  1.0
  O  O10  1  0.17469800  0.41988000  0.75481700  1.0
  O  O11  1  0.58012000  0.82530200  0.24518300  1.0
  O  O12  1  0.66506300  0.41988000  0.24518300  1.0
  O  O13  1  0.58012000  0.33493700  0.75481700  1.0
  O  O14  1  0.57530200  0.83012000  0.74518300  1.0
  O  O15  1  0.08493700  0.83012000  0.25481700  1.0