# generated using pymatgen
data_Nd2MgTi2S2O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.86677289
_cell_length_b   3.86677273
_cell_length_c   14.26860020
_cell_angle_alpha   97.78749191
_cell_angle_beta   97.78749388
_cell_angle_gamma   90.00000377
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nd2MgTi2S2O5
_chemical_formula_sum   'Nd2 Mg1 Ti2 S2 O5'
_cell_volume   209.38951272
_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
  Nd  Nd0  1  0.36336800  0.36336800  0.72673700  1.0
  Nd  Nd1  1  0.63663200  0.63663200  0.27326300  1.0
  Mg  Mg2  1  0.75000000  0.25000000  0.50000000  1.0
  Ti  Ti3  1  0.06490300  0.06490300  0.12980700  1.0
  Ti  Ti4  1  0.93509600  0.93509600  0.87019300  1.0
  S  S5  1  0.19325200  0.19325200  0.38650400  1.0
  S  S6  1  0.80674900  0.80674900  0.61349700  1.0
  O  O7  1  0.91038100  0.41038100  0.82076200  1.0
  O  O8  1  0.08902700  0.58902700  0.17805500  1.0
  O  O9  1  0.41097300  0.91097300  0.82194500  1.0
  O  O10  1  0.58961900  0.08961900  0.17923800  1.0
  O  O11  1  0.00000000  0.00000000  0.00000000  1.0