data_[Tm2Zn4In2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Zn  1.6500  1.3500  0.8800
  In  1.7800  1.5500  0.9400
]
_symmetry_space_group_name_H-M [Pmma]
_cell_length_a [5.1486]
_cell_length_b [4.2799]
_cell_length_c [7.4197]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [51]
_chemical_formula_structural [TmZn2In]
_chemical_formula_sum '[Tm2 Zn4 In2]'
_cell_volume [163.4952]
_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  0.2500  0.0000  0.2991  1.0
  Zn  Zn1  2  0.0000  0.5000  0.0000  1.0
  Zn  Zn2  2  0.2500  0.0000  0.8977  1.0
  In  In3  2  0.2500  0.5000  0.6337  1.0
]