# generated using pymatgen
data_Ba2YbMoN4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.72113756
_cell_length_b   10.40704228
_cell_length_c   8.05637925
_cell_angle_alpha   69.66622703
_cell_angle_beta   65.53482190
_cell_angle_gamma   44.79894806
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2YbMoN4
_chemical_formula_sum   'Ba8 Yb4 Mo4 N16'
_cell_volume   574.49161076
_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
  Ba  Ba0  1  0.57381128  0.92618872  0.92618872  1.0
  Ba  Ba1  1  0.92618872  0.57381128  0.57381128  1.0
  Ba  Ba2  1  0.32381128  0.67618872  0.67618872  1.0
  Ba  Ba3  1  0.11063601  0.11063601  0.88936399  1.0
  Ba  Ba4  1  0.13936399  0.13936399  0.36063601  1.0
  Ba  Ba5  1  0.36063601  0.36063601  0.13936399  1.0
  Ba  Ba6  1  0.67618872  0.32381128  0.32381128  1.0
  Ba  Ba7  1  0.88936399  0.88936399  0.11063601  1.0
  Yb  Yb8  1  0.33817571  0.33817571  0.66182429  1.0
  Yb  Yb9  1  0.91182429  0.91182429  0.58817571  1.0
  Yb  Yb10  1  0.66182429  0.66182429  0.33817571  1.0
  Yb  Yb11  1  0.58817571  0.58817571  0.91182429  1.0
  Mo  Mo12  1  0.49397416  0.00602584  0.49397416  1.0
  Mo  Mo13  1  0.00602584  0.49397416  0.00602584  1.0
  Mo  Mo14  1  0.75602584  0.24397416  0.75602584  1.0
  Mo  Mo15  1  0.24397416  0.75602584  0.24397416  1.0
  N  N16  1  0.01102796  0.65870745  0.82012052  1.0
  N  N17  1  0.69984262  0.28583988  0.99392958  1.0
  N  N18  1  0.65870745  0.01102796  0.51014507  1.0
  N  N19  1  0.51014507  0.82012052  0.65870745  1.0
  N  N20  1  0.23897204  0.59129255  0.42987948  1.0
  N  N21  1  0.73985493  0.42987948  0.59129255  1.0
  N  N22  1  0.99392958  0.02038691  0.69984262  1.0
  N  N23  1  0.55015738  0.96416012  0.25607042  1.0
  N  N24  1  0.42987948  0.73985493  0.23897204  1.0
  N  N25  1  0.96416012  0.55015738  0.22961309  1.0
  N  N26  1  0.28583988  0.69984262  0.02038691  1.0
  N  N27  1  0.82012052  0.51014507  0.01102796  1.0
  N  N28  1  0.22961309  0.25607042  0.96416012  1.0
  N  N29  1  0.59129255  0.23897204  0.73985493  1.0
  N  N30  1  0.25607042  0.22961309  0.55015738  1.0
  N  N31  1  0.02038691  0.99392958  0.28583988  1.0