# generated using pymatgen
data_Th2CrN3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.56124271
_cell_length_b   3.88499424
_cell_length_c   6.91501602
_cell_angle_alpha   106.31336627
_cell_angle_beta   104.92180769
_cell_angle_gamma   90.00000304
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Th2CrN3
_chemical_formula_sum   'Th2 Cr1 N3'
_cell_volume   88.45366884
_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  0.35623538  0.35620933  0.71247176  1.0
  Th  Th1  1  0.64376462  0.64379067  0.28752824  1.0
  Cr  Cr2  1  -0.00000000  -0.00000000  0.00000000  1.0
  N  N3  1  0.83329328  0.83330374  0.66658456  1.0
  N  N4  1  0.16670672  0.16669626  0.33341544  1.0
  N  N5  1  -0.00000000  0.50000000  0.00000000  1.0