data_[Cs1Li1Pm1Cl6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Li  0.9800  1.4500  0.9000
  Pm  1.1300  1.8500  1.1100
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.2757]
_cell_length_b [7.0734]
_cell_length_c [8.4716]
_cell_angle_alpha [101.3267]
_cell_angle_beta [91.0865]
_cell_angle_gamma [98.6006]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [CsLiPmCl6]
_chemical_formula_sum '[Cs1 Li1 Pm1 Cl6]'
_cell_volume [306.1137]
_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
[
  Cs  Cs0  1  0.7642  0.0148  0.0069  1
  Li  Li1  1  0.5100  0.7899  0.4495  1
  Pm  Pm2  1  0.3052  0.2861  0.5451  1
  Cl  Cl3  1  0.0839  0.4511  0.3022  1
  Cl  Cl4  1  0.2588  0.9561  0.3030  1
  Cl  Cl5  1  0.2984  0.2245  0.8440  1
  Cl  Cl6  1  0.4133  0.6723  0.6856  1
  Cl  Cl7  1  0.5893  0.4625  0.3011  1
  Cl  Cl8  1  0.7769  0.1426  0.5625  1
]