# generated using pymatgen
data_ThSiPOs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.71456081
_cell_length_b   5.71456096
_cell_length_c   5.71456091
_cell_angle_alpha   137.17496153
_cell_angle_beta   137.17496796
_cell_angle_gamma   62.16895473
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ThSiPOs2
_chemical_formula_sum   'Th1 Si1 P1 Os2'
_cell_volume   85.20504681
_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  0.00174015  0.00174015  1.00000000  1.0
  Si  Si1  1  0.37038068  0.37038068  0.00000000  1.0
  P  P2  1  0.63208897  0.63208897  1.00000000  1.0
  Os  Os3  1  0.24789560  0.74789560  0.50000000  1.0
  Os  Os4  1  0.74789560  0.24789560  0.50000000  1.0