data_[Er2Sc6Te8]
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 [Pmn2_1]
_cell_length_a [8.7810]
_cell_length_b [7.7675]
_cell_length_c [7.8805]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [ErSc3Te4]
_chemical_formula_sum '[Er2 Sc6 Te8]'
_cell_volume [537.4979]
_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  2  0.0000  0.8853  0.0371  1
  Sc  Sc1  4  0.1962  0.2915  0.0404  1
  Sc  Sc2  2  0.0000  0.1582  0.4011  1
  Te  Te3  4  0.2303  0.6378  0.8905  1
  Te  Te4  2  0.0000  0.1650  0.7777  1
  Te  Te5  2  0.0000  0.7896  0.4072  1
]