data_[Th2Mg4Zn2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Th  1.3000  1.8000  1.0800
  Mg  1.3100  1.5000  0.8600
  Zn  1.6500  1.3500  0.8800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [5.5798]
_cell_length_b [4.6465]
_cell_length_c [7.4426]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.9230]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [ThMg2Zn]
_chemical_formula_sum '[Th2 Mg4 Zn2]'
_cell_volume [190.0752]
_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
[
  Th  Th0  2  0.4542  0.2500  0.8305  1
  Mg  Mg1  2  0.0118  0.2500  0.1305  1
  Mg  Mg2  2  0.1241  0.7500  0.4528  1
  Zn  Zn3  2  0.3876  0.2500  0.4111  1
]