# generated using pymatgen
data_NbMoSe3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.40023900
_cell_length_b   6.65206100
_cell_length_c   9.22155792
_cell_angle_alpha   74.79624438
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbMoSe3
_chemical_formula_sum   'Nb2 Mo2 Se6'
_cell_volume   201.27830529
_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
  Nb  Nb0  1  0.25000000  0.68252000  0.00034200  1.0
  Nb  Nb1  1  0.75000000  0.31748000  0.99965800  1.0
  Mo  Mo2  1  0.25000000  0.89149600  0.62323900  1.0
  Mo  Mo3  1  0.75000000  0.10850400  0.37676100  1.0
  Se  Se4  1  0.25000000  0.02590500  0.16487600  1.0
  Se  Se5  1  0.75000000  0.97409500  0.83512400  1.0
  Se  Se6  1  0.25000000  0.48794100  0.79276500  1.0
  Se  Se7  1  0.75000000  0.51205900  0.20723500  1.0
  Se  Se8  1  0.25000000  0.27134700  0.51306500  1.0
  Se  Se9  1  0.75000000  0.72865300  0.48693500  1.0