# generated using pymatgen
data_MgZr(NbSe2)8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.01825150
_cell_length_b   7.01825100
_cell_length_c   13.44771596
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999766
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgZr(NbSe2)8
_chemical_formula_sum   'Mg1 Zr1 Nb8 Se16'
_cell_volume   573.63678495
_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
  Mg  Mg0  1  0.00000000  0.00000000  0.00000000  1.0
  Zr  Zr1  1  0.00000000  0.00000000  0.50000000  1.0
  Nb  Nb2  1  0.00000000  0.00000000  0.25230907  1.0
  Nb  Nb3  1  0.00000000  0.00000000  0.74769093  1.0
  Nb  Nb4  1  0.50754311  0.01508622  0.25057596  1.0
  Nb  Nb5  1  0.98491378  0.49245689  0.25057596  1.0
  Nb  Nb6  1  0.50754311  0.49245689  0.25057596  1.0
  Nb  Nb7  1  0.49245689  0.98491378  0.74942404  1.0
  Nb  Nb8  1  0.01508622  0.50754311  0.74942404  1.0
  Nb  Nb9  1  0.49245689  0.50754311  0.74942404  1.0
  Se  Se10  1  0.33333300  0.66666700  0.87651504  1.0
  Se  Se11  1  0.66666700  0.33333300  0.12348496  1.0
  Se  Se12  1  0.66666700  0.33333300  0.37827834  1.0
  Se  Se13  1  0.33333300  0.66666700  0.62172166  1.0
  Se  Se14  1  0.16985254  0.83014746  0.37453096  1.0
  Se  Se15  1  0.16985254  0.33970508  0.37453096  1.0
  Se  Se16  1  0.66029492  0.83014746  0.37453096  1.0
  Se  Se17  1  0.83014746  0.16985254  0.62546904  1.0
  Se  Se18  1  0.83014746  0.66029492  0.62546904  1.0
  Se  Se19  1  0.33970508  0.16985254  0.62546904  1.0
  Se  Se20  1  0.83171551  0.16828449  0.87123553  1.0
  Se  Se21  1  0.83171551  0.66343202  0.87123553  1.0
  Se  Se22  1  0.33656798  0.16828449  0.87123553  1.0
  Se  Se23  1  0.16828449  0.83171551  0.12876447  1.0
  Se  Se24  1  0.16828449  0.33656798  0.12876447  1.0
  Se  Se25  1  0.66343202  0.83171551  0.12876447  1.0