data_[Ac2Th2H2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  Th  1.3000  1.8000  1.0800
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.1783]
_cell_length_b [3.7710]
_cell_length_c [6.6375]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0980]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [AcThH]
_chemical_formula_sum '[Ac2 Th2 H2]'
_cell_volume [154.6451]
_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
[
  Ac  Ac0  2  0.2514  0.7500  0.4108  1
  Th  Th1  2  0.2520  0.2500  0.9263  1
  H  H2  2  0.4838  0.7500  0.7857  1
]