data_[Ni1Bi2Os1O8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ni  1.9100  1.3500  0.7400
  Bi  2.0200  1.6000  1.0350
  Os  2.2000  1.3000  0.6730
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.6243]
_cell_length_b [5.7067]
_cell_length_c [6.1383]
_cell_angle_alpha [75.6027]
_cell_angle_beta [77.9958]
_cell_angle_gamma [69.6565]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [NiBi2OsO8]
_chemical_formula_sum '[Ni1 Bi2 Os1 O8]'
_cell_volume [177.3149]
_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
[
  Ni  Ni0  1  0.0000  0.0000  0.5000  1.0
  Bi  Bi1  2  0.4292  0.3477  0.7780  1.0
  Os  Os2  1  0.0000  0.0000  0.0000  1.0
  O  O3  2  0.1702  0.1213  0.7201  1.0
  O  O4  2  0.2060  0.0866  0.1557  1.0
  O  O5  2  0.2507  0.6724  0.0115  1.0
  O  O6  2  0.2784  0.6792  0.5201  1.0
]