# generated using pymatgen
data_SmTm3(NiB4)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.78487231
_cell_length_b   6.78487196
_cell_length_c   6.78487237
_cell_angle_alpha   113.00855329
_cell_angle_beta   113.00855404
_cell_angle_gamma   102.60703236
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SmTm3(NiB4)4
_chemical_formula_sum   'Sm1 Tm3 Ni4 B16'
_cell_volume   237.89283920
_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  0.79631237  0.79631237  1.00000000  1.0
  Tm  Tm1  1  0.74948362  0.24948362  0.50000000  1.0
  Tm  Tm2  1  0.24948362  0.74948362  0.50000000  1.0
  Tm  Tm3  1  0.20625938  0.20625938  0.00000000  1.0
  Ni  Ni4  1  0.49917234  0.27085039  0.77167805  1.0
  Ni  Ni5  1  0.49917234  0.72749429  0.22832195  1.0
  Ni  Ni6  1  0.72749429  0.49917234  0.22832195  1.0
  Ni  Ni7  1  0.27085039  0.49917234  0.77167805  1.0
  B  B8  1  0.41843507  0.41843507  0.53146849  1.0
  B  B9  1  0.88696657  0.88696657  0.46853151  1.0
  B  B10  1  0.57907637  0.11587367  0.00000000  1.0
  B  B11  1  0.11587367  0.57907637  0.00000000  1.0
  B  B12  1  0.57907637  0.57907637  0.46320270  1.0
  B  B13  1  0.11587367  0.11587367  0.53679730  1.0
  B  B14  1  0.88696657  0.41843507  1.00000000  1.0
  B  B15  1  0.41843507  0.88696657  1.00000000  1.0
  B  B16  1  0.11191447  0.27679185  0.38843949  1.0
  B  B17  1  0.88835335  0.72347598  0.61156051  1.0
  B  B18  1  0.88835335  0.27679185  0.16487838  1.0
  B  B19  1  0.11191447  0.72347598  0.83512162  1.0
  B  B20  1  0.72347598  0.88835335  0.61156051  1.0
  B  B21  1  0.27679185  0.11191447  0.38843949  1.0
  B  B22  1  0.72347598  0.11191447  0.83512162  1.0
  B  B23  1  0.27679185  0.88835335  0.16487838  1.0