# generated using pymatgen
data_Ba3Ni3N5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.28278084
_cell_length_b   7.40609894
_cell_length_c   9.40596296
_cell_angle_alpha   111.98268753
_cell_angle_beta   106.79836328
_cell_angle_gamma   95.55959338
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba3Ni3N5
_chemical_formula_sum   'Ba6 Ni6 N10'
_cell_volume   378.02160441
_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
  Ba  Ba0  1  0.78840900  0.37576900  0.58807300  1.0
  Ba  Ba1  1  0.21159100  0.62423100  0.41192700  1.0
  Ba  Ba2  1  0.66099200  0.85721000  0.88661400  1.0
  Ba  Ba3  1  0.33900800  0.14279000  0.11338600  1.0
  Ba  Ba4  1  0.67225700  0.67915900  0.21550600  1.0
  Ba  Ba5  1  0.32774300  0.32084100  0.78449400  1.0
  Ni  Ni6  1  0.92179300  0.32735600  0.98256000  1.0
  Ni  Ni7  1  0.07820700  0.67264400  0.01744000  1.0
  Ni  Ni8  1  0.76802000  0.94056900  0.60909900  1.0
  Ni  Ni9  1  0.23198000  0.05943100  0.39090100  1.0
  Ni  Ni10  1  0.05319600  0.83978900  0.74872300  1.0
  Ni  Ni11  1  0.94680400  0.16021100  0.25127700  1.0
  N  N12  1  0.97128200  0.09047900  0.82569500  1.0
  N  N13  1  0.02871800  0.90952100  0.17430500  1.0
  N  N14  1  0.85796000  0.70369200  0.53174500  1.0
  N  N15  1  0.14204000  0.29630800  0.46825500  1.0
  N  N16  1  0.77691300  0.50589100  0.90546100  1.0
  N  N17  1  0.22308700  0.49410900  0.09453900  1.0
  N  N18  1  0.48205200  0.05151000  0.56735500  1.0
  N  N19  1  0.51794800  0.94849000  0.43264500  1.0
  N  N20  1  0.21290300  0.73659500  0.88030000  1.0
  N  N21  1  0.78709700  0.26340500  0.11970000  1.0