data_[Ho4Mg1Tl3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ho  1.2300  1.7500  1.0410
  Mg  1.3100  1.5000  0.8600
  Tl  1.6200  1.9000  1.3325
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [3.7175]
_cell_length_b [4.9179]
_cell_length_c [12.2178]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [Ho4MgTl3]
_chemical_formula_sum '[Ho4 Mg1 Tl3]'
_cell_volume [223.3682]
_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
[
  Ho  Ho0  1  0.0000  0.0000  0.1614  1.0
  Ho  Ho1  1  0.0000  0.5000  0.8427  1.0
  Ho  Ho2  1  0.5000  0.0000  0.6567  1.0
  Ho  Ho3  1  0.5000  0.5000  0.3402  1.0
  Mg  Mg4  1  0.5000  0.5000  0.0716  1.0
  Tl  Tl5  1  0.0000  0.0000  0.4175  1.0
  Tl  Tl6  1  0.0000  0.5000  0.5866  1.0
  Tl  Tl7  1  0.5000  0.0000  0.9233  1.0
]