data_[Er16Ni4Te2]
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
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [8.3873]
_cell_length_b [12.8321]
_cell_length_c [5.5732]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.2554]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Er8Ni2Te]
_chemical_formula_sum '[Er16 Ni4 Te2]'
_cell_volume [583.8457]
_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  8  0.2079  0.1309  0.0982  1
  Er  Er1  4  0.0000  0.2485  0.5000  1
  Er  Er2  4  0.1051  0.5000  0.2960  1
  Ni  Ni3  4  0.0000  0.3024  0.0000  1
  Te  Te4  2  0.0000  0.0000  0.5000  1
]