# generated using pymatgen
data_Sm3Pa(ReN3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.44079729
_cell_length_b   5.61551137
_cell_length_c   7.81808836
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   89.99746189
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sm3Pa(ReN3)4
_chemical_formula_sum   'Sm3 Pa1 Re4 N12'
_cell_volume   238.86495137
_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
  Sm  Sm0  1  0.01098209  0.94633971  0.25000000  1.0
  Sm  Sm1  1  0.50436661  0.54845688  0.75000000  1.0
  Sm  Sm2  1  0.99480204  0.05018800  0.75000000  1.0
  Pa  Pa3  1  0.48918255  0.43808045  0.25000000  1.0
  Re  Re4  1  0.50613489  0.00336238  0.50767040  1.0
  Re  Re5  1  0.99312392  0.50373517  0.99280763  1.0
  Re  Re6  1  0.99312392  0.50373517  0.50719237  1.0
  Re  Re7  1  0.50613489  0.00336238  0.99232960  1.0
  N  N8  1  0.70800831  0.28922355  0.53835333  1.0
  N  N9  1  0.30684057  0.69135537  0.05120447  1.0
  N  N10  1  0.20618247  0.20574790  0.04127859  1.0
  N  N11  1  0.43477744  0.98874665  0.75000000  1.0
  N  N12  1  0.89616413  0.51957960  0.25000000  1.0
  N  N13  1  0.30684057  0.69135537  0.44879553  1.0
  N  N14  1  0.79171207  0.78932786  0.96401967  1.0
  N  N15  1  0.70800831  0.28922355  0.96164667  1.0
  N  N16  1  0.79171207  0.78932786  0.53598033  1.0
  N  N17  1  0.06361104  0.49930473  0.75000000  1.0
  N  N18  1  0.20618247  0.20574790  0.45872141  1.0
  N  N19  1  0.58211064  0.04379951  0.25000000  1.0