# generated using pymatgen
data_Th2Mn11FeP7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.68021114
_cell_length_b   9.58001452
_cell_length_c   3.76360371
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.95182946
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Th2Mn11FeP7
_chemical_formula_sum   'Th2 Mn11 Fe1 P7'
_cell_volume   302.40997927
_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
  Th  Th0  1  0.33336330  0.66680355  0.00000000  1.0
  Th  Th1  1  0.00113821  0.00358980  0.50000000  1.0
  Mn  Mn2  1  0.71605590  0.76538194  0.00000000  1.0
  Mn  Mn3  1  0.23672294  0.95198054  0.00000000  1.0
  Mn  Mn4  1  0.55058385  0.05961127  0.00000000  1.0
  Mn  Mn5  1  0.94363591  0.49027117  0.00000000  1.0
  Mn  Mn6  1  0.50853948  0.45067091  0.00000000  1.0
  Mn  Mn7  1  0.62651631  0.90226084  0.50000000  1.0
  Mn  Mn8  1  0.10030274  0.71849849  0.50000000  1.0
  Mn  Mn9  1  0.28064358  0.37578407  0.50000000  1.0
  Mn  Mn10  1  0.79308123  0.23637998  0.50000000  1.0
  Mn  Mn11  1  0.76795527  0.56196415  0.50000000  1.0
  Mn  Mn12  1  0.43108059  0.20668673  0.50000000  1.0
  Fe  Fe13  1  0.03804892  0.28397358  0.00000000  1.0
  P  P14  1  0.78972755  0.04833490  0.00000000  1.0
  P  P15  1  0.95658260  0.74262324  0.00000000  1.0
  P  P16  1  0.25524695  0.21469943  0.00000000  1.0
  P  P17  1  0.38232767  0.92405121  0.50000000  1.0
  P  P18  1  0.08003009  0.44289105  0.50000000  1.0
  P  P19  1  0.54212452  0.61931697  0.50000000  1.0
  P  P20  1  0.66629439  0.33422420  0.00000000  1.0