data_[Pr1Ho1Mg1Sc1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Ho  1.2300  1.7500  1.0410
  Mg  1.3100  1.5000  0.8600
  Sc  1.3600  1.6000  0.8850
]
_symmetry_space_group_name_H-M [P4mm]
_cell_length_a [3.5164]
_cell_length_b [3.5164]
_cell_length_c [9.3041]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [99]
_chemical_formula_structural [PrHoMgSc]
_chemical_formula_sum '[Pr1 Ho1 Mg1 Sc1]'
_cell_volume [115.0468]
_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  0.4232  1.0
  Ho  Ho1  1  0.5000  0.5000  0.1386  1.0
  Mg  Mg2  1  0.5000  0.5000  0.6831  1.0
  Sc  Sc3  1  0.0000  0.0000  0.8944  1.0
]