data_[Tm5Mg1Au4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Mg  1.3100  1.5000  0.8600
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.6064]
_cell_length_b [3.6064]
_cell_length_c [17.7949]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [Tm5MgAu4]
_chemical_formula_sum '[Tm5 Mg1 Au4]'
_cell_volume [231.4399]
_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  0.1129  1.0
  Tm  Tm1  2  0.5000  0.5000  0.3048  1.0
  Tm  Tm2  1  0.5000  0.5000  0.5000  1.0
  Mg  Mg3  1  0.0000  0.0000  0.0000  1.0
  Au  Au4  2  0.0000  0.0000  0.2026  1.0
  Au  Au5  2  0.0000  0.0000  0.4013  1.0
]