data_[Si4P4Os1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Si  1.9000  1.1000  0.5400
  P  2.1900  1.0000  0.5500
  Os  2.2000  1.3000  0.6730
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [4.9816]
_cell_length_b [5.6592]
_cell_length_c [6.2182]
_cell_angle_alpha [85.7197]
_cell_angle_beta [68.3331]
_cell_angle_gamma [70.8945]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Si4P4Os]
_chemical_formula_sum '[Si4 P4 Os1]'
_cell_volume [153.7287]
_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
[
  Si  Si0  1  0.3897  0.3705  0.7362  1.0
  Si  Si1  1  0.5135  0.6202  0.1841  1.0
  Si  Si2  1  0.8224  0.8023  0.5309  1.0
  Si  Si3  1  0.9955  0.0003  0.9915  1.0
  P  P4  1  0.3128  0.0405  0.6219  1.0
  P  P5  1  0.4931  0.2526  0.0622  1.0
  P  P6  1  0.7740  0.4370  0.4259  1.0
  P  P7  1  0.9196  0.6671  0.8667  1.0
  Os  Os8  1  0.1523  0.0261  0.3028  1.0
]