# generated using pymatgen
data_Nd2MgTi2S2O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.97461293
_cell_length_b   3.97461285
_cell_length_c   11.68479178
_cell_angle_alpha   99.79225446
_cell_angle_beta   99.79225783
_cell_angle_gamma   90.00001308
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nd2MgTi2S2O5
_chemical_formula_sum   'Nd2 Mg1 Ti2 S2 O5'
_cell_volume   179.17203857
_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  0.33442600  0.33442600  0.66885300  1.0
  Nd  Nd1  1  0.66557400  0.66557400  0.33114700  1.0
  Mg  Mg2  1  0.50000000  0.50000000  0.00000000  1.0
  Ti  Ti3  1  0.08422500  0.08422500  0.16845000  1.0
  Ti  Ti4  1  0.91577400  0.91577400  0.83155000  1.0
  S  S5  1  0.20291500  0.20291500  0.40582800  1.0
  S  S6  1  0.79708600  0.79708600  0.59417300  1.0
  O  O7  1  0.90577300  0.40577300  0.81154500  1.0
  O  O8  1  0.09422700  0.59422700  0.18845600  1.0
  O  O9  1  0.40577300  0.90577300  0.81154400  1.0
  O  O10  1  0.59422700  0.09422700  0.18845500  1.0
  O  O11  1  0.00000000  0.00000000  0.00000000  1.0