# generated using pymatgen
data_NaEr(PS3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.99970100
_cell_length_b   7.18350636
_cell_length_c   9.17673104
_cell_angle_alpha   86.55022687
_cell_angle_beta   87.95477629
_cell_angle_gamma   87.71729776
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaEr(PS3)2
_chemical_formula_sum   'Na2 Er2 P4 S12'
_cell_volume   459.96994889
_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
  Na  Na0  1  0.47172700  0.39715700  0.27899200  1.0
  Na  Na1  1  0.52827300  0.60284300  0.72100800  1.0
  Er  Er2  1  0.97838800  0.11795600  0.74771400  1.0
  Er  Er3  1  0.02161200  0.88204400  0.25228600  1.0
  P  P4  1  0.35055000  0.96181500  0.97276700  1.0
  P  P5  1  0.64945000  0.03818500  0.02723300  1.0
  P  P6  1  0.93483700  0.39302500  0.43515200  1.0
  P  P7  1  0.06516300  0.60697500  0.56484800  1.0
  S  S8  1  0.12776700  0.47561600  0.75900400  1.0
  S  S9  1  0.83475400  0.83713700  0.95048000  1.0
  S  S10  1  0.29036100  0.70163100  0.43878200  1.0
  S  S11  1  0.87223300  0.52438400  0.24099600  1.0
  S  S12  1  0.85920500  0.81862200  0.56187900  1.0
  S  S13  1  0.70963900  0.29836900  0.56121800  1.0
  S  S14  1  0.14079500  0.18137800  0.43812100  1.0
  S  S15  1  0.34779300  0.96738800  0.75111600  1.0
  S  S16  1  0.29900800  0.71223700  0.07579900  1.0
  S  S17  1  0.70099200  0.28776300  0.92420100  1.0
  S  S18  1  0.65220700  0.03261200  0.24888400  1.0
  S  S19  1  0.16524600  0.16286300  0.04952000  1.0
