data_[Pr8Tm4In2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Tm  1.2500  1.7500  1.0950
  In  1.7800  1.5500  0.9400
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.1329]
_cell_length_b [8.0530]
_cell_length_c [9.5647]
_cell_angle_alpha [88.5456]
_cell_angle_beta [87.1209]
_cell_angle_gamma [73.9537]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Pr4Tm2In]
_chemical_formula_sum '[Pr8 Tm4 In2]'
_cell_volume [453.3741]
_cell_formula_units_Z [2]
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  0.2626  0.6324  0.7989  1.0
  Pr  Pr1  2  0.2985  0.1448  0.2934  1.0
  Pr  Pr2  2  0.4136  0.2251  0.9309  1.0
  Pr  Pr3  2  0.4210  0.7274  0.4377  1.0
  Tm  Tm4  2  0.1286  0.0781  0.6527  1.0
  Tm  Tm5  1  0.0000  0.0000  0.0000  1.0
  Tm  Tm6  1  0.0000  0.5000  0.5000  1.0
  In  In7  2  0.1548  0.5855  0.1568  1.0
]