# generated using pymatgen
data_Th2PaOs3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.94699502
_cell_length_b   5.38517636
_cell_length_c   5.94699437
_cell_angle_alpha   56.48443675
_cell_angle_beta   59.99999801
_cell_angle_gamma   56.48443384
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Th2PaOs3
_chemical_formula_sum   'Th2 Pa1 Os3'
_cell_volume   127.06658951
_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
  Th  Th0  1  0.75009591  0.74971227  0.75009591  1.0
  Th  Th1  1  0.49990409  0.50028773  0.49990409  1.0
  Pa  Pa2  1  0.12500000  0.62500000  0.12500000  1.0
  Os  Os3  1  0.12500000  0.12500000  0.12500000  1.0
  Os  Os4  1  0.62500000  0.12500000  0.12500000  1.0
  Os  Os5  1  0.12500000  0.12500000  0.62500000  1.0