data_[Er24Ni3Te12As9]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Ni  1.9100  1.3500  0.7400
  Te  2.1000  1.4000  1.2933
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [8.2788]
_cell_length_b [8.2788]
_cell_length_c [20.9023]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Er8NiTe4As3]
_chemical_formula_sum '[Er24 Ni3 Te12 As9]'
_cell_volume [1240.6789]
_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  0.0150  0.5075  0.7376  1.0
  Er  Er1  6  0.0000  0.0000  0.2607  1.0
  Ni  Ni2  3  -0.0000  -0.0000  0.0000  1.0
  Te  Te3  9  0.0000  0.5000  0.5000  1.0
  Te  Te4  3  -0.0000  -0.0000  0.5000  1.0
  As  As5  9  0.0000  0.5000  0.0000  1.0
]