data_[Pm4Ho4Ti4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pm  1.1300  1.8500  1.1100
  Ho  1.2300  1.7500  1.0410
  Ti  1.5400  1.4000  0.8517
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.3234]
_cell_length_b [3.3996]
_cell_length_c [5.5673]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.6368]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [PmHoTi]
_chemical_formula_sum '[Pm4 Ho4 Ti4]'
_cell_volume [326.8012]
_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
[
  Pm  Pm0  4  0.2163  0.0000  0.2417  1
  Ho  Ho1  4  0.0856  0.0000  0.6942  1
  Ti  Ti2  4  0.0576  0.5000  0.1747  1
]