# generated using pymatgen
data_SmTh(WN3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.57266100
_cell_length_b   5.63027778
_cell_length_c   7.90254964
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SmTh(WN3)2
_chemical_formula_sum   'Sm2 Th2 W4 N12'
_cell_volume   247.94746909
_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
  Sm  Sm0  1  0.50500361  0.54081259  0.25000000  1.0
  Sm  Sm1  1  0.99499639  0.04081259  0.25000000  1.0
  Th  Th2  1  0.49562945  0.46212341  0.75000000  1.0
  Th  Th3  1  0.00437055  0.96212341  0.75000000  1.0
  W  W4  1  0.99822008  0.49915739  0.00434624  1.0
  W  W5  1  0.50177992  0.99915739  0.49565376  1.0
  W  W6  1  0.99822008  0.49915739  0.49565376  1.0
  W  W7  1  0.50177992  0.99915739  0.00434624  1.0
  N  N8  1  0.42826346  0.98650025  0.25000000  1.0
  N  N9  1  0.07173654  0.48650025  0.25000000  1.0
  N  N10  1  0.57445643  0.01552320  0.75000000  1.0
  N  N11  1  0.92554357  0.51552320  0.75000000  1.0
  N  N12  1  0.79062728  0.79000707  0.03641273  1.0
  N  N13  1  0.70937272  0.29000707  0.46358727  1.0
  N  N14  1  0.20907397  0.20835582  0.54051607  1.0
  N  N15  1  0.29092603  0.70835582  0.95948393  1.0
  N  N16  1  0.20907397  0.20835582  0.95948393  1.0
  N  N17  1  0.29092603  0.70835582  0.54051607  1.0
  N  N18  1  0.79062728  0.79000707  0.46358727  1.0
  N  N19  1  0.70937272  0.29000707  0.03641273  1.0