data_[Er4Mg3Tl1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Mg  1.3100  1.5000  0.8600
  Tl  1.6200  1.9000  1.3325
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [3.4691]
_cell_length_b [5.0152]
_cell_length_c [12.4878]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [Er4Mg3Tl]
_chemical_formula_sum '[Er4 Mg3 Tl1]'
_cell_volume [217.2676]
_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
[
  Er  Er0  1  0.0000  0.0000  0.1710  1.0
  Er  Er1  1  0.0000  0.5000  0.8278  1.0
  Er  Er2  1  0.5000  0.0000  0.6736  1.0
  Er  Er3  1  0.5000  0.5000  0.3267  1.0
  Mg  Mg4  1  0.0000  0.0000  0.4332  1.0
  Mg  Mg5  1  0.0000  0.5000  0.5652  1.0
  Mg  Mg6  1  0.5000  0.0000  0.9330  1.0
  Tl  Tl7  1  0.5000  0.5000  0.0695  1.0
]