# generated using pymatgen
data_ZrNp3Sb5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.37612053
_cell_length_b   9.37611977
_cell_length_c   6.29712007
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999538
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrNp3Sb5
_chemical_formula_sum   'Zr2 Np6 Sb10'
_cell_volume   479.42309767
_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
  Zr  Zr0  1  0.00000000  0.00000000  0.00000000  1.0
  Zr  Zr1  1  0.00000000  0.00000000  0.50000000  1.0
  Np  Np2  1  0.61774714  0.00000000  0.25000000  1.0
  Np  Np3  1  0.38225286  1.00000000  0.75000000  1.0
  Np  Np4  1  0.00000000  0.61774714  0.25000000  1.0
  Np  Np5  1  1.00000000  0.38225286  0.75000000  1.0
  Np  Np6  1  0.38225286  0.38225286  0.25000000  1.0
  Np  Np7  1  0.61774714  0.61774714  0.75000000  1.0
  Sb  Sb8  1  0.26661457  1.00000000  0.25000000  1.0
  Sb  Sb9  1  0.73338543  0.00000000  0.75000000  1.0
  Sb  Sb10  1  1.00000000  0.26661457  0.25000000  1.0
  Sb  Sb11  1  0.00000000  0.73338543  0.75000000  1.0
  Sb  Sb12  1  0.73338543  0.73338543  0.25000000  1.0
  Sb  Sb13  1  0.26661457  0.26661457  0.75000000  1.0
  Sb  Sb14  1  0.33333300  0.66666700  0.00000000  1.0
  Sb  Sb15  1  0.66666700  0.33333300  0.00000000  1.0
  Sb  Sb16  1  0.66666700  0.33333300  0.50000000  1.0
  Sb  Sb17  1  0.33333300  0.66666700  0.50000000  1.0