# generated using pymatgen
data_NaSm(BIr)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.06051442
_cell_length_b   6.10818456
_cell_length_c   5.48200471
_cell_angle_alpha   74.84205233
_cell_angle_beta   56.61794658
_cell_angle_gamma   48.54000788
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaSm(BIr)4
_chemical_formula_sum   'Na1 Sm1 B4 Ir4'
_cell_volume   145.93738680
_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
  Na  Na0  1  0.50000000  0.50000000  0.50000000  1.0
  Sm  Sm1  1  0.75000000  0.75000000  0.75000000  1.0
  B  B2  1  0.17984696  0.82015304  0.17984696  1.0
  B  B3  1  0.07379418  0.42620582  0.07379418  1.0
  B  B4  1  0.82015304  0.17984696  0.82015304  1.0
  B  B5  1  0.42620582  0.07379418  0.42620582  1.0
  Ir  Ir6  1  0.87104483  0.87104483  0.12895517  1.0
  Ir  Ir7  1  0.12895517  0.12895517  0.87104483  1.0
  Ir  Ir8  1  0.38156203  0.38156203  0.11843797  1.0
  Ir  Ir9  1  0.11843797  0.11843797  0.38156203  1.0