data_[Y6Ho4Sc2Te12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Ho  1.2300  1.7500  1.0410
  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 [18.8855]
_cell_length_b [4.3080]
_cell_length_c [8.6791]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.3420]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Y3Ho2ScTe6]
_chemical_formula_sum '[Y6 Ho4 Sc2 Te12]'
_cell_volume [687.0618]
_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
[
  Y  Y0  4  0.1716  0.0000  0.8366  1.0
  Y  Y1  2  0.0000  0.5000  0.5000  1.0
  Ho  Ho2  4  0.1671  0.0000  0.3331  1.0
  Sc  Sc3  2  0.0000  0.5000  0.0000  1.0
  Te  Te4  4  0.0012  0.0000  0.7607  1.0
  Te  Te5  4  0.1606  0.5000  0.0819  1.0
  Te  Te6  4  0.1667  0.5000  0.5819  1.0
]