data_[Tm4Th2Ni4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Th  1.3000  1.8000  1.0800
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [5.4204]
_cell_length_b [4.1658]
_cell_length_c [10.4414]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.2805]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Tm2ThNi2]
_chemical_formula_sum '[Tm4 Th2 Ni4]'
_cell_volume [235.1112]
_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
[
  Tm  Tm0  2  0.1576  0.7500  0.1145  1
  Tm  Tm1  2  0.2423  0.7500  0.4554  1
  Th  Th2  2  0.3229  0.7500  0.7941  1
  Ni  Ni3  2  0.2692  0.2500  0.6323  1
  Ni  Ni4  2  0.3539  0.2500  0.9782  1
]