# generated using pymatgen
data_SmTmCBr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.68192945
_cell_length_b   3.68192849
_cell_length_c   14.16885821
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99998196
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SmTmCBr
_chemical_formula_sum   'Sm2 Tm2 C2 Br2'
_cell_volume   166.34753779
_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  0.66666700  0.33333300  0.90853722  1.0
  Sm  Sm1  1  0.33333300  0.66666700  0.40853722  1.0
  Tm  Tm2  1  0.33333300  0.66666700  0.08955791  1.0
  Tm  Tm3  1  0.66666700  0.33333300  0.58955791  1.0
  C  C4  1  0.00000000  0.00000000  0.00855435  1.0
  C  C5  1  0.00000000  0.00000000  0.50855435  1.0
  Br  Br6  1  0.33333300  0.66666700  0.74334951  1.0
  Br  Br7  1  0.66666700  0.33333300  0.24334951  1.0