data_[Ca4Pm16Tm4]
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
  Tm  1.2500  1.7500  1.0950
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.6301]
_cell_length_b [20.5636]
_cell_length_c [11.1176]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [CaPm4Tm]
_chemical_formula_sum '[Ca4 Pm16 Tm4]'
_cell_volume [829.9128]
_cell_formula_units_Z [4]
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  0.4054  0.2500  1
  Pm  Pm1  8  0.0000  0.1738  0.0273  1
  Pm  Pm2  4  0.0000  0.0000  0.0000  1
  Pm  Pm3  4  0.0000  0.4175  0.7500  1
  Tm  Tm4  4  0.0000  0.2476  0.7500  1
]