data_[Tm4In5Hg2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  In  1.7800  1.5500  0.9400
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.9179]
_cell_length_b [3.4867]
_cell_length_c [10.1062]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.6634]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Tm4In5Hg2]
_chemical_formula_sum '[Tm4 In5 Hg2]'
_cell_volume [277.6444]
_cell_formula_units_Z [1]
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  0.1778  0.5000  0.8838  1.0
  Tm  Tm1  2  0.2659  0.5000  0.4396  1.0
  In  In2  2  0.1801  0.0000  0.1571  1.0
  In  In3  2  0.4517  0.0000  0.6927  1.0
  In  In4  1  0.5000  0.0000  0.0000  1.0
  Hg  Hg5  2  0.0696  0.0000  0.6386  1.0
]