data_[Pm3Y1Tm7]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pm  1.1300  1.8500  1.1100
  Y  1.2200  1.8000  1.0400
  Tm  1.2500  1.7500  1.0950
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [7.0069]
_cell_length_b [7.0069]
_cell_length_c [8.6030]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [156]
_chemical_formula_structural [Pm3YTm7]
_chemical_formula_sum '[Pm3 Y1 Tm7]'
_cell_volume [365.7897]
_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
[
  Pm  Pm0  3  0.1670  0.3341  0.2159  1
  Y  Y1  1  0.0000  0.0000  0.5551  1
  Tm  Tm2  3  0.0017  0.5008  0.5554  1
  Tm  Tm3  3  0.3325  0.1662  0.8794  1
  Tm  Tm4  1  0.3333  0.6667  0.8777  1
]