data_[Pr6Sc4Ga8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Sc  1.3600  1.6000  0.8850
  Ga  1.8100  1.3000  0.7600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.8978]
_cell_length_b [4.4806]
_cell_length_c [9.1063]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.4231]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pr3(ScGa2)2]
_chemical_formula_sum '[Pr6 Sc4 Ga8]'
_cell_volume [457.8243]
_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  4  0.1170  0.5000  0.6972  1.0
  Pr  Pr1  2  0.0000  0.0000  0.0000  1.0
  Sc  Sc2  4  0.1864  0.5000  0.3511  1.0
  Ga  Ga3  4  0.0777  0.0000  0.4139  1.0
  Ga  Ga4  4  0.2249  0.5000  0.0637  1.0
]