# generated using pymatgen
data_Sm7CBr12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.07298178
_cell_length_b   9.07298291
_cell_length_c   9.07298154
_cell_angle_alpha   107.45678422
_cell_angle_beta   107.45679073
_cell_angle_gamma   107.45679212
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sm7CBr12
_chemical_formula_sum   'Sm7 C1 Br12'
_cell_volume   614.09236056
_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  0.47341526  0.47341526  0.47341526  1.0
  Sm  Sm1  1  0.90524512  0.97847777  0.69805663  1.0
  Sm  Sm2  1  0.97847777  0.69805663  0.90524512  1.0
  Sm  Sm3  1  0.69805663  0.90524512  0.97847777  1.0
  Sm  Sm4  1  0.04148810  0.30929374  0.11228979  1.0
  Sm  Sm5  1  0.30929374  0.11228979  0.04148810  1.0
  Sm  Sm6  1  0.11228979  0.04148810  0.30929374  1.0
  C  C7  1  0.99341726  0.99341726  0.99341726  1.0
  Br  Br8  1  0.23475688  0.07963243  0.69005880  1.0
  Br  Br9  1  0.07963243  0.69005880  0.23475688  1.0
  Br  Br10  1  0.69005880  0.23475688  0.07963243  1.0
  Br  Br11  1  0.53727909  0.83969877  0.61600093  1.0
  Br  Br12  1  0.83969877  0.61600093  0.53727909  1.0
  Br  Br13  1  0.61600093  0.53727909  0.83969877  1.0
  Br  Br14  1  0.92322155  0.31824416  0.77746712  1.0
  Br  Br15  1  0.31824416  0.77746712  0.92322155  1.0
  Br  Br16  1  0.77746712  0.92322155  0.31824416  1.0
  Br  Br17  1  0.39201156  0.47914181  0.14500421  1.0
  Br  Br18  1  0.47914181  0.14500421  0.39201156  1.0
  Br  Br19  1  0.14500421  0.39201156  0.47914181  1.0