data_[Li2Er1Sc1Te4]
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 [7.3429]
_cell_length_b [4.2410]
_cell_length_c [7.4224]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.2022]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Li2ErScTe4]
_chemical_formula_sum '[Li2 Er1 Sc1 Te4]'
_cell_volume [218.2835]
_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  0.5000  0.5000  1.0
  Li  Li1  1  0.5000  0.0000  0.5000  1.0
  Er  Er2  1  0.5000  0.5000  0.0000  1.0
  Sc  Sc3  1  0.0000  0.0000  0.0000  1.0
  Te  Te4  2  0.2401  0.5000  0.2460  1.0
  Te  Te5  2  0.2412  0.0000  0.7484  1.0
]