# generated using pymatgen
data_ThPOsN
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.06905578
_cell_length_b   4.06905578
_cell_length_c   8.36477164
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ThPOsN
_chemical_formula_sum   'Th2 P2 Os2 N2'
_cell_volume   138.49732212
_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
  Th  Th0  1  0.00000000  0.50000100  0.13824955  1.0
  Th  Th1  1  0.50000100  0.00000000  0.86175045  1.0
  P  P2  1  0.50000100  0.00000000  0.36154704  1.0
  P  P3  1  0.00000000  0.50000100  0.63845296  1.0
  Os  Os4  1  0.00000000  0.00000000  0.50000000  1.0
  Os  Os5  1  0.50000100  0.50000100  0.50000000  1.0
  N  N6  1  0.00000000  0.00000000  0.00000000  1.0
  N  N7  1  0.50000100  0.50000100  0.00000000  1.0