# generated using pymatgen
data_SmMgS3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.85568700
_cell_length_b   6.85568666
_cell_length_c   17.75438900
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999681
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SmMgS3
_chemical_formula_sum   'Sm6 Mg6 S18'
_cell_volume   722.66715752
_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  0.35499200  1.0
  Sm  Sm1  1  0.00000000  0.00000000  0.64500800  1.0
  Sm  Sm2  1  0.66666700  0.33333300  0.68832500  1.0
  Sm  Sm3  1  0.66666700  0.33333300  0.97834100  1.0
  Sm  Sm4  1  0.33333300  0.66666700  0.02165900  1.0
  Sm  Sm5  1  0.33333300  0.66666700  0.31167500  1.0
  Mg  Mg6  1  0.00000000  0.00000000  0.15347900  1.0
  Mg  Mg7  1  0.00000000  0.00000000  0.84652100  1.0
  Mg  Mg8  1  0.66666700  0.33333300  0.48681200  1.0
  Mg  Mg9  1  0.66666700  0.33333300  0.17985400  1.0
  Mg  Mg10  1  0.33333300  0.66666700  0.82014600  1.0
  Mg  Mg11  1  0.33333300  0.66666700  0.51318800  1.0
  S  S12  1  0.98394200  0.36055800  0.58135800  1.0
  S  S13  1  0.01605800  0.63944200  0.41864200  1.0
  S  S14  1  0.63944200  0.62338400  0.58135800  1.0
  S  S15  1  0.36055800  0.37661600  0.41864200  1.0
  S  S16  1  0.37661600  0.01605800  0.58135800  1.0
  S  S17  1  0.62338400  0.98394200  0.41864200  1.0
  S  S18  1  0.65060900  0.69389100  0.91469100  1.0
  S  S19  1  0.68272500  0.97277500  0.75197500  1.0
  S  S20  1  0.30610900  0.95671700  0.91469100  1.0
  S  S21  1  0.02722500  0.70994900  0.75197500  1.0
  S  S22  1  0.04328300  0.34939100  0.91469100  1.0
  S  S23  1  0.29005100  0.31727500  0.75197500  1.0
  S  S24  1  0.31727500  0.02722500  0.24802500  1.0
  S  S25  1  0.34939100  0.30610900  0.08530900  1.0
  S  S26  1  0.97277500  0.29005100  0.24802500  1.0
  S  S27  1  0.69389100  0.04328300  0.08530900  1.0
  S  S28  1  0.70994900  0.68272500  0.24802500  1.0
  S  S29  1  0.95671700  0.65060900  0.08530900  1.0