# generated using pymatgen
data_Sm6BCCl6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.51756926
_cell_length_b   9.51756352
_cell_length_c   9.58998352
_cell_angle_alpha   109.49063977
_cell_angle_beta   109.49060550
_cell_angle_gamma   109.12422900
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sm6BCCl6
_chemical_formula_sum   'Sm12 B2 C2 Cl12'
_cell_volume   671.24992087
_cell_formula_units_Z   2
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  0.47064679  0.48196041  0.23733714  1.0
  Sm  Sm1  1  0.74462328  0.23330965  0.26266286  1.0
  Sm  Sm2  1  0.74487377  0.01256557  0.48147849  1.0
  Sm  Sm3  1  0.23660372  0.46891193  0.48147749  1.0
  Sm  Sm4  1  0.26669135  0.75537672  0.23733814  1.0
  Sm  Sm5  1  0.03108807  0.26339528  0.01852151  1.0
  Sm  Sm6  1  0.01803959  0.02935421  0.26266286  1.0
  Sm  Sm7  1  0.48743343  0.75512623  0.01852251  1.0
  Sm  Sm8  1  0.48234590  0.23234590  0.46468980  1.0
  Sm  Sm9  1  0.01250028  0.48749872  0.75000000  1.0
  Sm  Sm10  1  0.26765510  0.01765510  0.03531020  1.0
  Sm  Sm11  1  0.23749972  0.26249928  0.75000000  1.0
  B  B12  1  0.99909406  0.24909306  0.49818711  1.0
  B  B13  1  0.25090694  0.50090694  0.00181289  1.0
  C  C14  1  0.25025989  0.24974011  0.25000000  1.0
  C  C15  1  0.49974011  0.00025989  0.25000000  1.0
  Cl  Cl16  1  0.25212022  0.75876302  0.74581644  1.0
  Cl  Cl17  1  0.51294858  0.50630578  0.75418456  1.0
  Cl  Cl18  1  0.98745000  0.74554302  0.99351716  1.0
  Cl  Cl19  1  0.74123498  0.24788078  0.75418456  1.0
  Cl  Cl20  1  0.99369422  0.98704942  0.74581444  1.0
  Cl  Cl21  1  0.25202486  0.99393284  0.50648184  1.0
  Cl  Cl22  1  0.75445798  0.51255100  0.50648284  1.0
  Cl  Cl23  1  0.50606916  0.24797514  0.99351816  1.0
  Cl  Cl24  1  0.75640068  0.74359832  0.24999900  1.0
  Cl  Cl25  1  0.74377168  0.99377168  0.98754536  1.0
  Cl  Cl26  1  0.99359932  0.50640168  0.25000100  1.0
  Cl  Cl27  1  0.50622832  0.75622732  0.51245464  1.0