# generated using pymatgen
data_SmThNi7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.94509991
_cell_length_b   4.94509947
_cell_length_c   12.44737534
_cell_angle_alpha   78.54254643
_cell_angle_beta   78.54254581
_cell_angle_gamma   59.99999955
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SmThNi7
_chemical_formula_sum   'Sm2 Th2 Ni14'
_cell_volume   256.57998904
_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  0.85256364  0.85256364  0.44231007  1.0
  Sm  Sm1  1  0.14743636  0.14743636  0.55768993  1.0
  Th  Th2  1  0.94904810  0.94904810  0.15285671  1.0
  Th  Th3  1  0.05095190  0.05095190  0.84714329  1.0
  Ni  Ni4  1  0.50000000  0.50000000  0.50000000  1.0
  Ni  Ni5  1  0.72152986  0.72152986  0.83541042  1.0
  Ni  Ni6  1  0.27847014  0.27847014  0.16458958  1.0
  Ni  Ni7  1  0.61201093  0.61201093  0.16396821  1.0
  Ni  Ni8  1  0.38798907  0.38798907  0.83603179  1.0
  Ni  Ni9  1  0.00000000  0.50000000  0.00000000  1.0
  Ni  Ni10  1  0.50000000  0.00000000  0.00000000  1.0
  Ni  Ni11  1  0.50000000  0.50000000  0.00000000  1.0
  Ni  Ni12  1  0.39126410  0.39126410  0.32697396  1.0
  Ni  Ni13  1  0.89049984  0.39126410  0.32697396  1.0
  Ni  Ni14  1  0.39126410  0.89049984  0.32697396  1.0
  Ni  Ni15  1  0.60873590  0.60873590  0.67302604  1.0
  Ni  Ni16  1  0.10950016  0.60873590  0.67302604  1.0
  Ni  Ni17  1  0.60873590  0.10950016  0.67302604  1.0