data_[Pr16Mg2Ga4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Mg  1.3100  1.5000  0.8600
  Ga  1.8100  1.3000  0.7600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.9312]
_cell_length_b [5.0075]
_cell_length_c [8.1446]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.1668]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pr8MgGa2]
_chemical_formula_sum '[Pr16 Mg2 Ga4]'
_cell_volume [690.7644]
_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  0.0454  0.0000  0.7373  1.0
  Pr  Pr1  4  0.0979  0.5000  0.4590  1.0
  Pr  Pr2  4  0.1759  0.5000  0.9449  1.0
  Pr  Pr3  4  0.1789  0.0000  0.2743  1.0
  Mg  Mg4  2  0.0000  0.5000  0.0000  1.0
  Ga  Ga5  4  0.2080  0.0000  0.6765  1.0
]