# generated using pymatgen
data_Nb2CrSe4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.21504453
_cell_length_b   7.21504453
_cell_length_c   12.48240500
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000482
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb2CrSe4
_chemical_formula_sum   'Nb8 Cr4 Se16'
_cell_volume   562.73886610
_cell_formula_units_Z   4
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  0.47239600  0.52760400  0.75000000  1.0
  Nb  Nb1  1  0.94479200  0.47239600  0.25000000  1.0
  Nb  Nb2  1  0.00000000  0.00000000  0.25000000  1.0
  Nb  Nb3  1  0.47239600  0.94479200  0.75000000  1.0
  Nb  Nb4  1  0.00000000  0.00000000  0.75000000  1.0
  Nb  Nb5  1  0.52760400  0.47239600  0.25000000  1.0
  Nb  Nb6  1  0.05520800  0.52760400  0.75000000  1.0
  Nb  Nb7  1  0.52760400  0.05520800  0.25000000  1.0
  Cr  Cr8  1  0.00000000  0.00000000  0.50000000  1.0
  Cr  Cr9  1  0.00000000  0.00000000  0.00000000  1.0
  Cr  Cr10  1  0.66666700  0.33333300  0.75000000  1.0
  Cr  Cr11  1  0.33333300  0.66666700  0.25000000  1.0
  Se  Se12  1  0.83443900  0.16556100  0.87884700  1.0
  Se  Se13  1  0.33333300  0.66666700  0.90376200  1.0
  Se  Se14  1  0.66887800  0.83443900  0.12115300  1.0
  Se  Se15  1  0.66887800  0.83443900  0.37884700  1.0
  Se  Se16  1  0.33112200  0.16556100  0.87884700  1.0
  Se  Se17  1  0.16556100  0.33112200  0.12115300  1.0
  Se  Se18  1  0.16556100  0.83443900  0.12115300  1.0
  Se  Se19  1  0.66666700  0.33333300  0.09623800  1.0
  Se  Se20  1  0.16556100  0.83443900  0.37884700  1.0
  Se  Se21  1  0.83443900  0.16556100  0.62115300  1.0
  Se  Se22  1  0.83443900  0.66887800  0.62115300  1.0
  Se  Se23  1  0.16556100  0.33112200  0.37884700  1.0
  Se  Se24  1  0.83443900  0.66887800  0.87884700  1.0
  Se  Se25  1  0.33112200  0.16556100  0.62115300  1.0
  Se  Se26  1  0.33333300  0.66666700  0.59623800  1.0
  Se  Se27  1  0.66666700  0.33333300  0.40376200  1.0