data_[Er4Sc4Te4]
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
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.4778]
_cell_length_b [3.8342]
_cell_length_c [8.0754]
_cell_angle_alpha [90.0000]
_cell_angle_beta [117.6830]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [ErScTe]
_chemical_formula_sum '[Er4 Sc4 Te4]'
_cell_volume [314.7071]
_cell_formula_units_Z [4]
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  0.0598  0.0000  0.3238  1.0
  Sc  Sc1  4  0.1452  0.5000  0.0436  1.0
  Te  Te2  4  0.1677  0.5000  0.6846  1.0
]