data_[P3Os3C3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  P  2.1900  1.0000  0.5500
  Os  2.2000  1.3000  0.6730
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [2.7652]
_cell_length_b [2.7652]
_cell_length_c [16.9061]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [POsC]
_chemical_formula_sum '[P3 Os3 C3]'
_cell_volume [111.9519]
_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
[
  P  P0  3  0.0000  0.0000  0.2694  1
  Os  Os1  3  0.0000  0.0000  0.1188  1
  C  C2  3  0.0000  0.0000  0.3775  1
]