data_[Pm3Tm3Bi3Se3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pm  1.1300  1.8500  1.1100
  Tm  1.2500  1.7500  1.0950
  Bi  2.0200  1.6000  1.0350
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [4.2035]
_cell_length_b [4.2035]
_cell_length_c [22.6959]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [PmTmBiSe]
_chemical_formula_sum '[Pm3 Tm3 Bi3 Se3]'
_cell_volume [347.2989]
_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  3  0.0000  0.0000  0.5885  1
  Tm  Tm1  3  0.0000  0.0000  0.7510  1
  Bi  Bi2  3  0.0000  0.0000  0.1651  1
  Se  Se3  3  0.0000  0.0000  0.3420  1
]