data_[Nb4P4Os4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nb  1.6000  1.4500  0.8200
  P  2.1900  1.0000  0.5500
  Os  2.2000  1.3000  0.6730
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [2.9633]
_cell_length_b [4.1129]
_cell_length_c [15.2157]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [44]
_chemical_formula_structural [NbPOs]
_chemical_formula_sum '[Nb4 P4 Os4]'
_cell_volume [185.4473]
_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
[
  Nb  Nb0  2  0.0000  0.0000  0.7436  1
  Nb  Nb1  2  0.0000  0.5000  0.9996  1
  P  P2  2  0.0000  0.0000  0.1890  1
  P  P3  2  0.0000  0.5000  0.4166  1
  Os  Os4  2  0.0000  0.0000  0.3407  1
  Os  Os5  2  0.0000  0.5000  0.5751  1
]