data_[Y12Sb6P2Se4]
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
  P  2.1900  1.0000  0.5500
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.4833]
_cell_length_b [4.2404]
_cell_length_c [8.5210]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.4113]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Y6Sb3PSe2]
_chemical_formula_sum '[Y12 Sb6 P2 Se4]'
_cell_volume [649.6288]
_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  0.0001  0.0000  0.2302  1.0
  Y  Y1  4  0.1572  0.5000  0.0846  1.0
  Y  Y2  4  0.1672  0.5000  0.5794  1.0
  Sb  Sb3  4  0.1702  0.0000  0.8354  1.0
  Sb  Sb4  2  0.0000  0.5000  0.5000  1.0
  P  P5  2  0.0000  0.5000  0.0000  1.0
  Se  Se6  4  0.1665  0.0000  0.3348  1.0
]