data_[Y10Te10Se4]
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
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.1438]
_cell_length_b [4.2075]
_cell_length_c [12.7497]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.5091]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Y5Te5Se2]
_chemical_formula_sum '[Y10 Te10 Se4]'
_cell_volume [731.1082]
_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  0.1091  0.0000  0.4091  1
  Y  Y1  4  0.1849  0.5000  0.8060  1
  Y  Y2  2  0.0000  0.0000  0.0000  1
  Te  Te3  4  0.1636  0.5000  0.0517  1
  Te  Te4  4  0.2480  0.5000  0.3532  1
  Te  Te5  2  0.0000  0.5000  0.5000  1
  Se  Se6  4  0.0389  0.0000  0.7904  1
]