data_[Pr12Er4Ga8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Er  1.2400  1.7500  1.0300
  Ga  1.8100  1.3000  0.7600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [16.7109]
_cell_length_b [5.1673]
_cell_length_c [8.0929]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.1631]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pr3ErGa2]
_chemical_formula_sum '[Pr12 Er4 Ga8]'
_cell_volume [691.7511]
_cell_formula_units_Z [4]
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  0.0567  0.0000  0.8204  1
  Pr  Pr1  4  0.1214  0.5000  0.5322  1
  Pr  Pr2  4  0.1808  0.5000  0.9973  1
  Er  Er3  4  0.1653  0.0000  0.2796  1
  Ga  Ga4  4  0.0333  0.5000  0.1667  1
  Ga  Ga5  4  0.2189  0.0000  0.6640  1
]