# generated using pymatgen
data_Ba2NiOsO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.80591204
_cell_length_b   5.81435076
_cell_length_c   14.26329389
_cell_angle_alpha   90.09192405
_cell_angle_beta   90.01187322
_cell_angle_gamma   119.94746472
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2NiOsO6
_chemical_formula_sum   'Ba6 Ni3 Os3 O18'
_cell_volume   417.20639088
_cell_formula_units_Z   3
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  0.99971100  0.99931100  0.24960700  1.0
  Ba  Ba1  1  0.99998700  0.99986100  0.75045700  1.0
  Ba  Ba2  1  0.33347200  0.66706300  0.09034600  1.0
  Ba  Ba3  1  0.66677700  0.33360100  0.91010800  1.0
  Ba  Ba4  1  0.33350200  0.66706000  0.40324900  1.0
  Ba  Ba5  1  0.66653100  0.33308400  0.59645200  1.0
  Ni  Ni6  1  0.99978000  0.99952000  0.00007100  1.0
  Ni  Ni7  1  0.33333000  0.66653500  0.65130500  1.0
  Ni  Ni8  1  0.66602100  0.33175600  0.34858600  1.0
  Os  Os9  1  0.99993800  0.99988500  0.50010100  1.0
  Os  Os10  1  0.33328800  0.66644600  0.84110500  1.0
  Os  Os11  1  0.66665100  0.33331900  0.15891600  1.0
  O  O12  1  0.51486400  0.48588600  0.24520500  1.0
  O  O13  1  0.51324400  0.02663800  0.24517200  1.0
  O  O14  1  0.97145700  0.48635000  0.24522800  1.0
  O  O15  1  0.02787000  0.51405700  0.75472000  1.0
  O  O16  1  0.48561200  0.97107500  0.75519900  1.0
  O  O17  1  0.48623400  0.51408700  0.75473400  1.0
  O  O18  1  0.82742700  0.17269100  0.08371700  1.0
  O  O19  1  0.82846700  0.65709600  0.08356300  1.0
  O  O20  1  0.34478700  0.17223700  0.08368700  1.0
  O  O21  1  0.65578600  0.82811900  0.91649800  1.0
  O  O22  1  0.17254800  0.34495500  0.91625800  1.0
  O  O23  1  0.17227100  0.82804100  0.91640900  1.0
  O  O24  1  0.84049700  0.15840400  0.42222300  1.0
  O  O25  1  0.84198600  0.68411100  0.42137400  1.0
  O  O26  1  0.31759700  0.15823100  0.42215600  1.0
  O  O27  1  0.68202400  0.84151300  0.57778700  1.0
  O  O28  1  0.15876900  0.31748300  0.57795500  1.0
  O  O29  1  0.15957100  0.84158700  0.57781100  1.0