data_[Pm1Er6Tm6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pm  1.1300  1.8500  1.1100
  Er  1.2400  1.7500  1.0300
  Tm  1.2500  1.7500  1.0950
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [6.5127]
_cell_length_b [10.8631]
_cell_length_c [6.5368]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.6071]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Pm(ErTm)6]
_chemical_formula_sum '[Pm1 Er6 Tm6]'
_cell_volume [417.0371]
_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  1  0.0000  0.0000  0.0000  1
  Er  Er1  2  0.0000  0.3363  0.0000  1
  Er  Er2  2  0.2660  0.5000  0.7397  1
  Er  Er3  2  0.3411  0.0000  0.6280  1
  Tm  Tm4  2  0.0000  0.2311  0.5000  1
  Tm  Tm5  2  0.5000  0.2220  0.0000  1
  Tm  Tm6  2  0.5000  0.3014  0.5000  1
]