data_[Er10Tl4Os2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Tl  1.6200  1.9000  1.3325
  Os  2.2000  1.3000  0.6730
]
_symmetry_space_group_name_H-M [Pbam]
_cell_length_a [6.7907]
_cell_length_b [12.5201]
_cell_length_c [4.8985]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [55]
_chemical_formula_structural [Er5Tl2Os]
_chemical_formula_sum '[Er10 Tl4 Os2]'
_cell_volume [416.4722]
_cell_formula_units_Z [2]
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  4  0.1196  0.7896  0.0000  1
  Er  Er1  4  0.1728  0.0853  0.5000  1
  Er  Er2  2  0.0000  0.5000  0.0000  1
  Tl  Tl3  4  0.1092  0.3398  0.5000  1
  Os  Os4  2  0.0000  0.0000  0.0000  1
]