# generated using pymatgen
data_SmMgTl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.63234512
_cell_length_b   7.63234512
_cell_length_c   4.68679215
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00001840
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SmMgTl
_chemical_formula_sum   'Sm3 Mg3 Tl3'
_cell_volume   236.44070497
_cell_formula_units_Z   3
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  0.42710958  0.42710958  -0.00000000  1.0
  Sm  Sm1  1  0.57289053  0.99999996  0.00000000  1.0
  Sm  Sm2  1  0.99999996  0.57289053  0.00000000  1.0
  Mg  Mg3  1  0.00000006  0.24329022  0.50000000  1.0
  Mg  Mg4  1  0.75670979  0.75670979  0.50000000  1.0
  Mg  Mg5  1  0.24329022  0.00000006  0.50000000  1.0
  Tl  Tl6  1  0.66666690  0.33333310  0.50000000  1.0
  Tl  Tl7  1  0.99999987  0.99999987  0.00000000  1.0
  Tl  Tl8  1  0.33333310  0.66666690  0.50000000  1.0