data_[Pr3Mg6Zn6Ga6]
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
  Zn  1.6500  1.3500  0.8800
  Ga  1.8100  1.3000  0.7600
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [4.4310]
_cell_length_b [4.4310]
_cell_length_c [25.3255]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [PrMg2(ZnGa)2]
_chemical_formula_sum '[Pr3 Mg6 Zn6 Ga6]'
_cell_volume [430.6215]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.0000  1.0
  Mg  Mg1  6  0.0000  0.0000  0.1353  1.0
  Zn  Zn2  6  0.0000  0.0000  0.4111  1.0
  Ga  Ga3  6  0.0000  0.0000  0.2539  1.0
]