# generated using pymatgen
data_Sm4BBr5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.29672290
_cell_length_b   9.29672226
_cell_length_c   8.29055069
_cell_angle_alpha   102.85477072
_cell_angle_beta   102.85477044
_cell_angle_gamma   24.87578049
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sm4BBr5
_chemical_formula_sum   'Sm4 B1 Br5'
_cell_volume   293.48930279
_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  0.64482176  0.64482176  0.07890958  1.0
  Sm  Sm1  1  0.99901123  0.99901123  0.21243174  1.0
  Sm  Sm2  1  0.00098877  0.00098877  0.78756826  1.0
  Sm  Sm3  1  0.35517824  0.35517824  0.92109042  1.0
  B  B4  1  0.50000000  0.50000000  0.00000000  1.0
  Br  Br5  1  0.82795917  0.82795917  0.16747916  1.0
  Br  Br6  1  0.16616749  0.16616749  0.34254724  1.0
  Br  Br7  1  0.50000000  0.50000000  0.50000000  1.0
  Br  Br8  1  0.83383251  0.83383251  0.65745276  1.0
  Br  Br9  1  0.17204083  0.17204083  0.83252084  1.0