data_[Pr1Tm2Zr1Sc4]
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
  Zr  1.3300  1.5500  0.8600
  Sc  1.3600  1.6000  0.8850
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.7764]
_cell_length_b [4.7764]
_cell_length_c [9.3726]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [PrTm2ZrSc4]
_chemical_formula_sum '[Pr1 Tm2 Zr1 Sc4]'
_cell_volume [213.8238]
_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  1  0.0000  0.0000  0.0000  1
  Tm  Tm1  1  0.0000  0.0000  0.5000  1
  Tm  Tm2  1  0.5000  0.5000  0.0000  1
  Zr  Zr3  1  0.5000  0.5000  0.5000  1
  Sc  Sc4  4  0.0000  0.5000  0.2635  1
]