data_[Tm5Zr3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Zr  1.3300  1.5500  0.8600
]
_symmetry_space_group_name_H-M [P4mm]
_cell_length_a [4.7452]
_cell_length_b [4.7452]
_cell_length_c [9.5867]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [99]
_chemical_formula_structural [Tm5Zr3]
_chemical_formula_sum '[Tm5 Zr3]'
_cell_volume [215.8613]
_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  0.0000  0.5000  0.2585  1
  Tm  Tm1  1  0.0000  0.0000  0.5112  1
  Tm  Tm2  1  0.0000  0.0000  0.9835  1
  Tm  Tm3  1  0.5000  0.5000  0.9825  1
  Zr  Zr4  2  0.0000  0.5000  0.7446  1
  Zr  Zr5  1  0.5000  0.5000  0.5165  1
]