data_[Tb4Cu3Hg1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Cu  1.9000  1.3500  0.8200
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [3.7280]
_cell_length_b [4.6118]
_cell_length_c [10.7318]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [Tb4Cu3Hg]
_chemical_formula_sum '[Tb4 Cu3 Hg1]'
_cell_volume [184.5097]
_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
[
  Tb  Tb0  1  0.0000  0.0000  0.1500  1.0
  Tb  Tb1  1  0.0000  0.5000  0.8433  1.0
  Tb  Tb2  1  0.5000  0.0000  0.6371  1.0
  Tb  Tb3  1  0.5000  0.5000  0.3716  1.0
  Cu  Cu4  1  0.0000  0.0000  0.4324  1.0
  Cu  Cu5  1  0.0000  0.5000  0.5712  1.0
  Cu  Cu6  1  0.5000  0.0000  0.9175  1.0
  Hg  Hg7  1  0.5000  0.5000  0.0769  1.0
]