# generated using pymatgen
data_SmTh(MgNi4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.96185585
_cell_length_b   4.96185537
_cell_length_c   8.58617850
_cell_angle_alpha   73.20523463
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000317
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SmTh(MgNi4)2
_chemical_formula_sum   'Sm1 Th1 Mg2 Ni8'
_cell_volume   172.58055389
_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  0.00086606  0.00173212  0.99739982  1.0
  Th  Th1  1  0.49932698  0.99865396  0.50201906  1.0
  Mg  Mg2  1  0.87819060  0.75638319  0.36542621  1.0
  Mg  Mg3  1  0.37214468  0.74428836  0.88356696  1.0
  Ni  Ni4  1  0.43517148  0.37552762  0.18930090  1.0
  Ni  Ni5  1  0.93467821  0.37766466  0.68765813  1.0
  Ni  Ni6  1  0.43517148  0.87034196  0.18930090  1.0
  Ni  Ni7  1  0.93467821  0.86935542  0.68765813  1.0
  Ni  Ni8  1  0.18844967  0.37689934  0.43465200  1.0
  Ni  Ni9  1  0.68798105  0.37596209  0.93605586  1.0
  Ni  Ni10  1  0.94035714  0.37552762  0.18930090  1.0
  Ni  Ni11  1  0.44298645  0.37766466  0.68765813  1.0