data_[Tb1Pm1C1S1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Pm  1.1300  1.8500  1.1100
  C  2.5500  0.7000  0.3000
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.8683]
_cell_length_b [3.8683]
_cell_length_c [5.3889]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [TbPmCS]
_chemical_formula_sum '[Tb1 Pm1 C1 S1]'
_cell_volume [80.6391]
_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
[
  Tb  Tb0  1  0.0000  0.0000  0.0000  1
  Pm  Pm1  1  0.5000  0.5000  0.5000  1
  C  C2  1  0.5000  0.5000  0.0000  1
  S  S3  1  0.0000  0.0000  0.5000  1
]