# generated using pymatgen
data_Sm2ThBC3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.79573668
_cell_length_b   3.79573676
_cell_length_c   16.23949776
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.34866344
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sm2ThBC3
_chemical_formula_sum   'Sm4 Th2 B2 C6'
_cell_volume   233.96813605
_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  0.57028007  0.42972093  0.09843105  1.0
  Sm  Sm1  1  0.57028007  0.42972093  0.40156895  1.0
  Sm  Sm2  1  0.42972093  0.57028007  0.59843105  1.0
  Sm  Sm3  1  0.42972093  0.57028007  0.90156895  1.0
  Th  Th4  1  0.07194540  0.92805560  0.25000000  1.0
  Th  Th5  1  0.92805560  0.07194540  0.75000000  1.0
  B  B6  1  0.00000000  0.00000000  0.00000000  1.0
  B  B7  1  0.00000000  0.00000000  0.50000000  1.0
  C  C8  1  0.06310992  0.93689208  0.08815081  1.0
  C  C9  1  0.57796838  0.42203362  0.25000000  1.0
  C  C10  1  0.06310992  0.93689208  0.41184919  1.0
  C  C11  1  0.93689208  0.06310992  0.58815081  1.0
  C  C12  1  0.42203362  0.57796838  0.75000000  1.0
  C  C13  1  0.93689208  0.06310992  0.91184919  1.0