data_[Tm5Be1Zn4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Be  1.5700  1.0500  0.5900
  Zn  1.6500  1.3500  0.8800
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.5161]
_cell_length_b [3.5161]
_cell_length_c [17.2226]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [Tm5BeZn4]
_chemical_formula_sum '[Tm5 Be1 Zn4]'
_cell_volume [212.9232]
_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  0.5000  0.5000  0.0927  1.0
  Tm  Tm1  2  0.5000  0.5000  0.2960  1.0
  Tm  Tm2  1  0.5000  0.5000  0.5000  1.0
  Be  Be3  1  0.0000  0.0000  0.0000  1.0
  Zn  Zn4  2  0.0000  0.0000  0.1943  1.0
  Zn  Zn5  2  0.0000  0.0000  0.3981  1.0
]