data_[Tc1P1H1Os1S1N1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tc  1.9000  1.3500  0.7417
  P  2.1900  1.0000  0.5500
  H  2.2000  0.2500  0.0000
  Os  2.2000  1.3000  0.6730
  S  2.5800  1.0000  0.8800
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [4.7871]
_cell_length_b [2.9882]
_cell_length_c [7.0298]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.4345]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [TcPHOsSN]
_chemical_formula_sum '[Tc1 P1 H1 Os1 S1 N1]'
_cell_volume [99.9264]
_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
[
  Tc  Tc0  1  0.9666  0.0000  0.2179  1
  P  P1  1  0.4593  0.0000  0.4327  1
  Os  Os2  1  0.5048  0.5000  0.1900  1
  H  H3  1  0.6438  0.0000  0.6067  1
  S  S4  1  0.0819  0.5000  0.9822  1
  N  N5  1  0.1306  0.0000  0.4772  1
]