# generated using pymatgen
data_SmThMn12P7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.68385790
_cell_length_b   9.68385902
_cell_length_c   3.68398077
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000373
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SmThMn12P7
_chemical_formula_sum   'Sm1 Th1 Mn12 P7'
_cell_volume   299.18845869
_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  0.33333300  0.66666700  0.50000000  1.0
  Th  Th1  1  0.66666700  0.33333300  0.00000000  1.0
  Mn  Mn2  1  0.42984124  0.04860057  0.50000000  1.0
  Mn  Mn3  1  0.95139943  0.38124067  0.50000000  1.0
  Mn  Mn4  1  0.61875933  0.57015876  0.50000000  1.0
  Mn  Mn5  1  0.15750861  0.27446078  0.50000000  1.0
  Mn  Mn6  1  0.72553922  0.88304582  0.50000000  1.0
  Mn  Mn7  1  0.11695418  0.84249139  0.50000000  1.0
  Mn  Mn8  1  0.39370286  0.43573368  0.00000000  1.0
  Mn  Mn9  1  0.56426632  0.95796917  0.00000000  1.0
  Mn  Mn10  1  0.04203083  0.60629714  0.00000000  1.0
  Mn  Mn11  1  0.23342002  0.10289604  0.00000000  1.0
  Mn  Mn12  1  0.89710396  0.13052398  0.00000000  1.0
  Mn  Mn13  1  0.86947602  0.76657998  0.00000000  1.0
  P  P14  1  0.12805193  0.41335620  0.00000000  1.0
  P  P15  1  0.58664380  0.71469473  0.00000000  1.0
  P  P16  1  0.28530527  0.87194807  0.00000000  1.0
  P  P17  1  0.00000000  0.00000000  0.50000000  1.0
  P  P18  1  0.40767555  0.28841405  0.50000000  1.0
  P  P19  1  0.71158595  0.11926051  0.50000000  1.0
  P  P20  1  0.88073949  0.59232445  0.50000000  1.0