data_[Y12Sn2Te6P4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Sn  1.9600  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 [18.6646]
_cell_length_b [4.1925]
_cell_length_c [8.6902]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.5721]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Y6SnTe3P2]
_chemical_formula_sum '[Y12 Sn2 Te6 P4]'
_cell_volume [658.1443]
_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  0.0121  0.0000  0.2511  1.0
  Y  Y1  4  0.1673  0.5000  0.1162  1.0
  Y  Y2  4  0.1766  0.5000  0.5637  1.0
  Sn  Sn3  2  0.0000  0.5000  0.0000  1.0
  Te  Te4  4  0.1638  0.0000  0.8328  1.0
  Te  Te5  2  0.0000  0.5000  0.5000  1.0
  P  P6  4  0.1690  0.0000  0.3385  1.0
]