data_[Ca4Pm2F16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Pm  1.1300  1.8500  1.1100
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [3.9364]
_cell_length_b [6.0164]
_cell_length_c [11.7391]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Ca2PmF8]
_chemical_formula_sum '[Ca4 Pm2 F16]'
_cell_volume [278.0186]
_cell_formula_units_Z [2]
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
[
  Ca  Ca0  4  0.0000  0.5000  0.1859  1
  Pm  Pm1  2  0.0000  0.5000  0.5000  1
  F  F2  8  0.0000  0.2334  0.3385  1
  F  F3  4  0.0000  0.0000  0.1162  1
  F  F4  4  0.0000  0.3296  0.0000  1
]