data_[Pr3Nd1Tm7]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  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 [6.5103]
_cell_length_b [6.6534]
_cell_length_c [8.6125]
_cell_angle_alpha [99.1170]
_cell_angle_beta [98.6665]
_cell_angle_gamma [94.9295]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Pr3NdTm7]
_chemical_formula_sum '[Pr3 Nd1 Tm7]'
_cell_volume [361.8273]
_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
[
  Pr  Pr0  2  0.2027  0.0631  0.1600  1
  Pr  Pr1  1  0.0000  0.5000  0.0000  1
  Nd  Nd2  1  0.5000  0.5000  0.5000  1
  Tm  Tm3  2  0.0138  0.2643  0.5844  1
  Tm  Tm4  2  0.2733  0.7776  0.7838  1
  Tm  Tm5  2  0.4419  0.2930  0.8559  1
  Tm  Tm6  1  0.5000  0.0000  0.5000  1
]