# generated using pymatgen
data_SmCuSeF
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.82496600
_cell_length_b   3.82496600
_cell_length_c   9.35121700
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SmCuSeF
_chemical_formula_sum   'Sm2 Cu2 Se2 F2'
_cell_volume   136.81171698
_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  0.50000000  0.00000000  0.17452900  1.0
  Sm  Sm1  1  0.00000000  0.50000000  0.82547100  1.0
  Cu  Cu2  1  0.50000000  0.50000000  0.50000000  1.0
  Cu  Cu3  1  0.00000000  0.00000000  0.50000000  1.0
  Se  Se4  1  0.00000000  0.50000000  0.30147000  1.0
  Se  Se5  1  0.50000000  0.00000000  0.69853000  1.0
  F  F6  1  0.00000000  0.00000000  0.00000000  1.0
  F  F7  1  0.50000000  0.50000000  0.00000000  1.0