data_[Y12Sb2Te6P4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Sb  2.0500  1.4500  0.8300
  Te  2.1000  1.4000  1.2933
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.7198]
_cell_length_b [4.2028]
_cell_length_c [8.6219]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.6636]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Y6SbTe3P2]
_chemical_formula_sum '[Y12 Sb2 Te6 P4]'
_cell_volume [656.2358]
_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  0.0161  0.0000  0.2545  1.0
  Y  Y1  4  0.1698  0.5000  0.1203  1.0
  Y  Y2  4  0.1773  0.5000  0.5639  1.0
  Sb  Sb3  2  0.0000  0.5000  0.0000  1.0
  Te  Te4  4  0.1615  0.0000  0.8335  1.0
  Te  Te5  2  0.0000  0.5000  0.5000  1.0
  P  P6  4  0.1691  0.0000  0.3381  1.0
]