# generated using pymatgen
data_Nd2Re2I
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.20492779
_cell_length_b   4.20492770
_cell_length_c   18.30608083
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999286
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nd2Re2I
_chemical_formula_sum   'Nd4 Re4 I2'
_cell_volume   280.31291881
_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  0.11455266  1.0
  Nd  Nd1  1  0.00000000  0.00000000  0.88544734  1.0
  Nd  Nd2  1  0.00000000  0.00000000  0.61455266  1.0
  Nd  Nd3  1  0.00000000  0.00000000  0.38544734  1.0
  Re  Re4  1  0.33333300  0.66666700  0.51293997  1.0
  Re  Re5  1  0.66666700  0.33333300  0.48706003  1.0
  Re  Re6  1  0.66666700  0.33333300  0.01293997  1.0
  Re  Re7  1  0.33333300  0.66666700  0.98706003  1.0
  I  I8  1  0.33333300  0.66666700  0.25000000  1.0
  I  I9  1  0.66666700  0.33333300  0.75000000  1.0