data_[Pr2Zn4Ga6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Zn  1.6500  1.3500  0.8800
  Ga  1.8100  1.3000  0.7600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.0445]
_cell_length_b [6.3625]
_cell_length_c [6.3818]
_cell_angle_alpha [78.4848]
_cell_angle_beta [86.1064]
_cell_angle_gamma [86.3417]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [PrZn2Ga3]
_chemical_formula_sum '[Pr2 Zn4 Ga6]'
_cell_volume [239.6210]
_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  2  0.3595  0.7161  0.2114  1.0
  Zn  Zn1  2  0.1206  0.3117  0.5005  1.0
  Zn  Zn2  2  0.1856  0.2664  0.0836  1.0
  Ga  Ga3  2  0.1232  0.0128  0.8078  1.0
  Ga  Ga4  2  0.1936  0.5747  0.7583  1.0
  Ga  Ga5  2  0.4955  0.1584  0.3382  1.0
]