data_[Pr3Tm3Ge3Se3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Tm  1.2500  1.7500  1.0950
  Ge  2.0100  1.2500  0.7700
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [4.1939]
_cell_length_b [4.1939]
_cell_length_c [20.6693]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [PrTmGeSe]
_chemical_formula_sum '[Pr3 Tm3 Ge3 Se3]'
_cell_volume [314.8396]
_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
[
  Pr  Pr0  3  0.0000  0.0000  0.5515  1.0
  Tm  Tm1  3  0.0000  0.0000  0.0594  1.0
  Ge  Ge2  3  0.0000  0.0000  0.8012  1.0
  Se  Se3  3  0.0000  0.0000  0.3114  1.0
]