# generated using pymatgen
data_SmMnB4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.46843019
_cell_length_b   6.01704206
_cell_length_c   11.65411960
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SmMnB4
_chemical_formula_sum   'Sm4 Mn4 B16'
_cell_volume   243.21786718
_cell_formula_units_Z   4
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  0.00000000  0.37443119  0.65072104  1.0
  Sm  Sm1  1  0.00000000  0.62556881  0.34927896  1.0
  Sm  Sm2  1  -0.00000000  0.87443119  0.84927896  1.0
  Sm  Sm3  1  -0.00000000  0.12556881  0.15072104  1.0
  Mn  Mn4  1  0.00000000  0.36944008  0.91448706  1.0
  Mn  Mn5  1  -0.00000000  0.63055992  0.08551294  1.0
  Mn  Mn6  1  0.00000000  0.86944008  0.58551294  1.0
  Mn  Mn7  1  -0.00000000  0.13055992  0.41448706  1.0
  B  B8  1  0.50000000  0.02283497  0.68908439  1.0
  B  B9  1  0.50000000  0.97716503  0.31091561  1.0
  B  B10  1  0.50000000  0.52283497  0.81091561  1.0
  B  B11  1  0.50000000  0.47716503  0.18908439  1.0
  B  B12  1  0.50000000  0.38848954  0.04582400  1.0
  B  B13  1  0.50000000  0.61151046  0.95417600  1.0
  B  B14  1  0.50000000  0.88848954  0.45417600  1.0
  B  B15  1  0.50000000  0.11151046  0.54582400  1.0
  B  B16  1  0.50000000  0.28018623  0.31623859  1.0
  B  B17  1  0.50000000  0.71981377  0.68376141  1.0
  B  B18  1  0.50000000  0.78018623  0.18376141  1.0
  B  B19  1  0.50000000  0.21981377  0.81623859  1.0
  B  B20  1  0.50000000  0.35907240  0.46720016  1.0
  B  B21  1  0.50000000  0.64092760  0.53279984  1.0
  B  B22  1  0.50000000  0.85907240  0.03279984  1.0
  B  B23  1  0.50000000  0.14092760  0.96720016  1.0