data_[Ba2P4Os2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  P  2.1900  1.0000  0.5500
  Os  2.2000  1.3000  0.6730
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [9.4534]
_cell_length_b [3.5812]
_cell_length_c [5.7672]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.3164]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [BaP2Os]
_chemical_formula_sum '[Ba2 P4 Os2]'
_cell_volume [189.1832]
_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  2  0.4874  0.0000  0.4991  1
  P  P1  2  0.0298  0.0000  0.9948  1
  P  P2  2  0.2814  0.0000  0.9099  1
  Os  Os3  2  0.2014  0.5000  0.0962  1
]