# generated using pymatgen
data_SmErP7Ru12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.36107017
_cell_length_b   9.36106952
_cell_length_c   3.93509055
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999539
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SmErP7Ru12
_chemical_formula_sum   'Sm1 Er1 P7 Ru12'
_cell_volume   298.63200772
_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  0.00000000  1.0
  Er  Er1  1  0.66666700  0.33333300  0.50000000  1.0
  P  P2  1  0.60331159  0.71770137  0.50000000  1.0
  P  P3  1  0.00000000  0.00000000  0.00000000  1.0
  P  P4  1  0.28229863  0.88561022  0.50000000  1.0
  P  P5  1  0.11438978  0.39668841  0.50000000  1.0
  P  P6  1  0.88626998  0.57392519  0.00000000  1.0
  P  P7  1  0.42607481  0.31234579  0.00000000  1.0
  P  P8  1  0.68765421  0.11373002  0.00000000  1.0
  Ru  Ru9  1  0.55886171  0.95269807  0.50000000  1.0
  Ru  Ru10  1  0.39383736  0.44113829  0.50000000  1.0
  Ru  Ru11  1  0.91432295  0.12041929  0.50000000  1.0
  Ru  Ru12  1  0.20609634  0.08567705  0.50000000  1.0
  Ru  Ru13  1  0.87958071  0.79390366  0.50000000  1.0
  Ru  Ru14  1  0.72853165  0.89143225  0.00000000  1.0
  Ru  Ru15  1  0.10856775  0.83709841  0.00000000  1.0
  Ru  Ru16  1  0.16290159  0.27146835  0.00000000  1.0
  Ru  Ru17  1  0.42414796  0.06847417  0.00000000  1.0
  Ru  Ru18  1  0.93152583  0.35567478  0.00000000  1.0
  Ru  Ru19  1  0.64432522  0.57585204  0.00000000  1.0
  Ru  Ru20  1  0.04730193  0.60616264  0.50000000  1.0