# generated using pymatgen
data_NdOsI
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.24917430
_cell_length_b   4.24917375
_cell_length_c   12.68599522
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999662
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NdOsI
_chemical_formula_sum   'Nd2 Os2 I2'
_cell_volume   198.36462510
_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
  Nd  Nd0  1  0.00000000  0.00000000  0.33703618  1.0
  Nd  Nd1  1  0.00000000  0.00000000  0.66296382  1.0
  Os  Os2  1  0.33333300  0.66666600  0.49126960  1.0
  Os  Os3  1  0.66666600  0.33333500  0.50873040  1.0
  I  I4  1  0.66666600  0.33333500  0.16644483  1.0
  I  I5  1  0.33333300  0.66666600  0.83355517  1.0