data_[Er8Sc2Tl14]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Sc  1.3600  1.6000  0.8850
  Tl  1.6200  1.9000  1.3325
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.8033]
_cell_length_b [5.4755]
_cell_length_c [11.1162]
_cell_angle_alpha [90.0000]
_cell_angle_beta [123.3746]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Er4ScTl7]
_chemical_formula_sum '[Er8 Sc2 Tl14]'
_cell_volume [701.6087]
_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  0.0801  0.5000  0.7826  1
  Er  Er1  4  0.2173  0.5000  0.3256  1
  Sc  Sc2  2  0.0000  0.0000  0.0000  1
  Tl  Tl3  4  0.0843  0.0000  0.3217  1
  Tl  Tl4  4  0.1329  0.5000  0.5459  1
  Tl  Tl5  4  0.2129  0.0000  0.8960  1
  Tl  Tl6  2  0.0000  0.5000  0.0000  1
]