data_[Pm1Nd2Tm7]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pm  1.1300  1.8500  1.1100
  Nd  1.1400  1.8500  1.2765
  Tm  1.2500  1.7500  1.0950
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.1150]
_cell_length_b [7.0757]
_cell_length_c [7.9361]
_cell_angle_alpha [76.9464]
_cell_angle_beta [75.0817]
_cell_angle_gamma [73.6545]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [PmNd2Tm7]
_chemical_formula_sum '[Pm1 Nd2 Tm7]'
_cell_volume [314.0072]
_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
  Nd  Nd1  2  0.2031  0.7967  0.5998  1
  Tm  Tm2  2  0.1985  0.3009  0.6012  1
  Tm  Tm3  2  0.3995  0.1011  0.1986  1
  Tm  Tm4  2  0.4007  0.5993  0.1979  1
  Tm  Tm5  1  0.0000  0.5000  0.0000  1
]