data_[Gd2P2Os1Rh1S2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Gd  1.2000  1.8000  1.0750
  P  2.1900  1.0000  0.5500
  Os  2.2000  1.3000  0.6730
  Rh  2.2800  1.3500  0.7450
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P-4m2]
_cell_length_a [4.1315]
_cell_length_b [4.1315]
_cell_length_c [8.7696]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [115]
_chemical_formula_structural [Gd2P2OsRhS2]
_chemical_formula_sum '[Gd2 P2 Os1 Rh1 S2]'
_cell_volume [149.6876]
_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
[
  Gd  Gd0  2  0.0000  0.5000  0.6991  1
  P  P1  2  0.0000  0.5000  0.1389  1
  Os  Os2  1  0.0000  0.0000  0.0000  1
  Rh  Rh3  1  0.5000  0.5000  0.0000  1
  S  S4  1  0.0000  0.0000  0.5000  1
  S  S5  1  0.5000  0.5000  0.5000  1
]