# generated using pymatgen
data_TmPa(ReN3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.29471134
_cell_length_b   5.70962272
_cell_length_c   7.71166584
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TmPa(ReN3)2
_chemical_formula_sum   'Tm2 Pa2 Re4 N12'
_cell_volume   233.12985978
_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
  Tm  Tm0  1  0.52208919  0.57053568  0.75000000  1.0
  Tm  Tm1  1  0.97791081  0.07053568  0.75000000  1.0
  Pa  Pa2  1  0.47746172  0.42446373  0.25000000  1.0
  Pa  Pa3  1  0.02253828  0.92446373  0.25000000  1.0
  Re  Re4  1  0.50718232  0.99928629  0.51129541  1.0
  Re  Re5  1  0.99281768  0.49928629  0.98870459  1.0
  Re  Re6  1  0.99281768  0.49928629  0.51129541  1.0
  Re  Re7  1  0.50718232  0.99928629  0.98870459  1.0
  N  N8  1  0.69706135  0.29363418  0.55321614  1.0
  N  N9  1  0.31241643  0.69688773  0.06208381  1.0
  N  N10  1  0.18758357  0.19688773  0.06208381  1.0
  N  N11  1  0.40183567  0.98145555  0.75000000  1.0
  N  N12  1  0.88206653  0.54392864  0.25000000  1.0
  N  N13  1  0.31241643  0.69688773  0.43791619  1.0
  N  N14  1  0.80293865  0.79363418  0.94678386  1.0
  N  N15  1  0.69706135  0.29363418  0.94678386  1.0
  N  N16  1  0.80293865  0.79363418  0.55321614  1.0
  N  N17  1  0.09816433  0.48145555  0.75000000  1.0
  N  N18  1  0.18758357  0.19688773  0.43791619  1.0
  N  N19  1  0.61793347  0.04392864  0.25000000  1.0