data_[Er36In18Tc3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  In  1.7800  1.5500  0.9400
  Tc  1.9000  1.3500  0.7417
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [11.3352]
_cell_length_b [11.3352]
_cell_length_c [13.7617]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Er12In6Tc]
_chemical_formula_sum '[Er36 In18 Tc3]'
_cell_volume [1531.3151]
_cell_formula_units_Z [3]
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  18  0.0402  0.1822  0.8309  1
  Er  Er1  18  0.0625  0.8531  0.4061  1
  In  In2  18  0.0298  0.4348  0.7123  1
  Tc  Tc3  3  0.0000  0.0000  0.0000  1
]