data_[Pm3Tm6Al3]
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
  Al  1.6100  1.2500  0.6750
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [3.5442]
_cell_length_b [3.5442]
_cell_length_c [31.3432]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [PmTm2Al]
_chemical_formula_sum '[Pm3 Tm6 Al3]'
_cell_volume [340.9732]
_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  0.5004  1
  Tm  Tm1  3  0.0000  0.0000  0.0717  1
  Tm  Tm2  3  0.0000  0.0000  0.2616  1
  Al  Al3  3  0.0000  0.0000  0.6663  1
]