# generated using pymatgen
data_Zr6BN4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.69919298
_cell_length_b   5.69919244
_cell_length_c   5.68460481
_cell_angle_alpha   99.69935684
_cell_angle_beta   99.69935517
_cell_angle_gamma   119.66061566
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr6BN4
_chemical_formula_sum   'Zr6 B1 N4'
_cell_volume   151.16284591
_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
  Zr  Zr0  1  0.43607249  0.08644457  0.25172019  1.0
  Zr  Zr1  1  0.08416569  0.42826797  0.24912238  1.0
  Zr  Zr2  1  0.73304539  0.73597908  0.26279952  1.0
  Zr  Zr3  1  0.26402192  0.26695561  0.73720048  1.0
  Zr  Zr4  1  0.91355543  0.56392751  0.74827781  1.0
  Zr  Zr5  1  0.57173203  0.91583431  0.75087562  1.0
  B  B6  1  0.16626840  0.83373060  0.50000000  1.0
  N  N7  1  0.66656989  0.33342911  0.00000000  1.0
  N  N8  1  0.33209525  0.66790375  0.00000000  1.0
  N  N9  1  0.83231685  0.16768215  0.50000000  1.0
  N  N10  1  0.50015365  0.49984435  0.50000000  1.0