# generated using pymatgen
data_SmThCN
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.38429834
_cell_length_b   6.38429834
_cell_length_c   6.38429813
_cell_angle_alpha   33.84963270
_cell_angle_beta   33.84963270
_cell_angle_gamma   33.84962986
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SmThCN
_chemical_formula_sum   'Sm1 Th1 C1 N1'
_cell_volume   71.94923699
_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  0.75051900  0.75051900  0.75051900  1.0
  Th  Th1  1  0.24973700  0.24973700  0.24973700  1.0
  C  C2  1  0.99659000  0.99659000  0.99659000  1.0
  N  N3  1  0.50315400  0.50315400  0.50315400  1.0