data_[Pm3Os3S3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pm  1.1300  1.8500  1.1100
  Os  2.2000  1.3000  0.6730
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [4.0385]
_cell_length_b [4.0385]
_cell_length_c [12.4170]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [187]
_chemical_formula_structural [PmOsS]
_chemical_formula_sum '[Pm3 Os3 S3]'
_cell_volume [175.3824]
_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
[
  Pm  Pm0  2  0.3333  0.6667  0.1669  1
  Pm  Pm1  1  0.3333  0.6667  0.5000  1
  Os  Os2  2  0.6667  0.3333  0.3280  1
  Os  Os3  1  0.0000  0.0000  0.0000  1
  S  S4  2  0.0000  0.0000  0.3444  1
  S  S5  1  0.6667  0.3333  0.0000  1
]