data_[Y2Te4P2Se4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Te  2.1000  1.4000  1.2933
  P  2.1900  1.0000  0.5500
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [7.1489]
_cell_length_b [7.1816]
_cell_length_c [8.2372]
_cell_angle_alpha [88.3465]
_cell_angle_beta [87.3740]
_cell_angle_gamma [77.7824]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [YTe2PSe2]
_chemical_formula_sum '[Y2 Te4 P2 Se4]'
_cell_volume [412.8122]
_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  2  0.2153  0.7005  0.0639  1
  Te  Te1  2  0.0546  0.5432  0.7483  1
  Te  Te2  2  0.1444  0.0065  0.7732  1
  P  P3  2  0.3241  0.2684  0.8076  1
  Se  Se4  2  0.3995  0.2833  0.0699  1
  Se  Se5  2  0.4106  0.7660  0.3446  1
]