data_[Li1Er1Sc2Te4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  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 [P2/m]
_cell_length_a [7.2865]
_cell_length_b [4.1923]
_cell_length_c [7.3512]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.0092]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [LiEr(ScTe2)2]
_chemical_formula_sum '[Li1 Er1 Sc2 Te4]'
_cell_volume [212.3147]
_cell_formula_units_Z [1]
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
[
  Li  Li0  1  0.0000  0.0000  0.0000  1
  Er  Er1  1  0.5000  0.5000  0.0000  1
  Sc  Sc2  1  0.0000  0.5000  0.5000  1
  Sc  Sc3  1  0.5000  0.0000  0.5000  1
  Te  Te4  2  0.2411  0.0000  0.7439  1
  Te  Te5  2  0.2464  0.5000  0.2538  1
]