# generated using pymatgen
data_SmMgSe3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.99137300
_cell_length_b   6.99137307
_cell_length_c   19.47667800
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999492
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SmMgSe3
_chemical_formula_sum   'Sm6 Mg6 Se18'
_cell_volume   824.46170640
_cell_formula_units_Z   6
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  0.00000000  0.00000000  0.34895700  1.0
  Sm  Sm1  1  0.00000000  0.00000000  0.65104300  1.0
  Sm  Sm2  1  0.66666700  0.33333300  0.68229000  1.0
  Sm  Sm3  1  0.66666700  0.33333300  0.98437600  1.0
  Sm  Sm4  1  0.33333300  0.66666700  0.01562400  1.0
  Sm  Sm5  1  0.33333300  0.66666700  0.31771000  1.0
  Mg  Mg6  1  0.00000000  0.00000000  0.16147600  1.0
  Mg  Mg7  1  0.00000000  0.00000000  0.83852400  1.0
  Mg  Mg8  1  0.66666700  0.33333300  0.49480900  1.0
  Mg  Mg9  1  0.66666700  0.33333300  0.17185700  1.0
  Mg  Mg10  1  0.33333300  0.66666700  0.82814300  1.0
  Mg  Mg11  1  0.33333300  0.66666700  0.50519100  1.0
  Se  Se12  1  0.99455500  0.36488400  0.58255500  1.0
  Se  Se13  1  0.00544500  0.63511600  0.41744500  1.0
  Se  Se14  1  0.63511600  0.62967000  0.58255500  1.0
  Se  Se15  1  0.36488400  0.37033000  0.41744500  1.0
  Se  Se16  1  0.37033000  0.00544500  0.58255500  1.0
  Se  Se17  1  0.62967000  0.99455500  0.41744500  1.0
  Se  Se18  1  0.66122200  0.69821700  0.91588800  1.0
  Se  Se19  1  0.67211300  0.96844900  0.75077800  1.0
  Se  Se20  1  0.30178300  0.96300300  0.91588800  1.0
  Se  Se21  1  0.03155100  0.70366300  0.75077800  1.0
  Se  Se22  1  0.03699700  0.33877800  0.91588800  1.0
  Se  Se23  1  0.29633700  0.32788700  0.75077800  1.0
  Se  Se24  1  0.32788700  0.03155100  0.24922200  1.0
  Se  Se25  1  0.33877800  0.30178300  0.08411200  1.0
  Se  Se26  1  0.96844900  0.29633700  0.24922200  1.0
  Se  Se27  1  0.69821700  0.03699700  0.08411200  1.0
  Se  Se28  1  0.70366300  0.67211300  0.24922200  1.0
  Se  Se29  1  0.96300300  0.66122200  0.08411200  1.0