data_[Zr4Tl5Rh2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  Tl  1.6200  1.9000  1.3325
  Rh  2.2800  1.3500  0.7450
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.8340]
_cell_length_b [3.3420]
_cell_length_c [9.4977]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.6650]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Zr4Tl5Rh2]
_chemical_formula_sum '[Zr4 Tl5 Rh2]'
_cell_volume [248.1523]
_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
[
  Zr  Zr0  2  0.1970  0.5000  0.8462  1.0
  Zr  Zr1  2  0.2037  0.5000  0.4286  1.0
  Tl  Tl2  2  0.1459  0.0000  0.1336  1.0
  Tl  Tl3  2  0.4667  0.0000  0.6652  1.0
  Tl  Tl4  1  0.5000  0.0000  0.0000  1.0
  Rh  Rh5  2  0.0846  0.0000  0.6344  1.0
]