data_[Pr2Th2Ga4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Th  1.3000  1.8000  1.0800
  Ga  1.8100  1.3000  0.7600
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [4.1537]
_cell_length_b [4.4453]
_cell_length_c [11.3732]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [PrThGa2]
_chemical_formula_sum '[Pr2 Th2 Ga4]'
_cell_volume [209.9975]
_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  0.5000  0.0000  0.0215  1
  Th  Th1  2  0.0000  0.0000  0.7363  1
  Ga  Ga2  2  0.0000  0.0000  0.4495  1
  Ga  Ga3  2  0.5000  0.0000  0.3064  1
]