data_[Y4Sc12Te8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  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 [15.1473]
_cell_length_b [4.0465]
_cell_length_c [11.3681]
_cell_angle_alpha [90.0000]
_cell_angle_beta [116.4931]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [YSc3Te2]
_chemical_formula_sum '[Y4 Sc12 Te8]'
_cell_volume [623.6244]
_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
[
  Y  Y0  4  0.1339  0.0000  0.0631  1.0
  Sc  Sc1  4  0.0436  0.0000  0.3698  1.0
  Sc  Sc2  4  0.1197  0.5000  0.6032  1.0
  Sc  Sc3  4  0.2155  0.5000  0.3883  1.0
  Te  Te4  4  0.0169  0.5000  0.1581  1.0
  Te  Te5  4  0.1956  0.0000  0.8177  1.0
]