# generated using pymatgen
data_PmThCO
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.20529374
_cell_length_b   5.20528974
_cell_length_c   5.15713664
_cell_angle_alpha   90.00004412
_cell_angle_beta   90.00002206
_cell_angle_gamma   90.00003302
_symmetry_Int_Tables_number   1
_chemical_formula_structural   PmThCO
_chemical_formula_sum   'Pm2 Th2 C2 O2'
_cell_volume   139.73293738
_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
  Pm  Pm0  1  0.25000000  0.24999900  0.49988507  1.0
  Pm  Pm1  1  0.75000000  0.75000000  0.50011593  1.0
  Th  Th2  1  0.75000000  0.24999900  0.00000000  1.0
  Th  Th3  1  0.25000000  0.75000000  0.00000000  1.0
  C  C4  1  0.75000000  0.75000000  0.00027957  1.0
  C  C5  1  0.25000000  0.25000000  0.99972143  1.0
  O  O6  1  0.75000000  0.24999900  0.50000000  1.0
  O  O7  1  0.24999900  0.75000000  0.50000000  1.0