data_[Ho4Mg3Tl1]
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 [3.4954]
_cell_length_b [5.0388]
_cell_length_c [12.4743]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [Ho4Mg3Tl]
_chemical_formula_sum '[Ho4 Mg3 Tl1]'
_cell_volume [219.7052]
_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  0.1687  1.0
  Ho  Ho1  1  0.0000  0.5000  0.8305  1.0
  Ho  Ho2  1  0.5000  0.0000  0.6720  1.0
  Ho  Ho3  1  0.5000  0.5000  0.3283  1.0
  Mg  Mg4  1  0.0000  0.0000  0.4332  1.0
  Mg  Mg5  1  0.0000  0.5000  0.5649  1.0
  Mg  Mg6  1  0.5000  0.0000  0.9331  1.0
  Tl  Tl7  1  0.5000  0.5000  0.0693  1.0
]