data_[Y4Zr2Se8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Zr  1.3300  1.5500  0.8600
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.6562]
_cell_length_b [4.0271]
_cell_length_c [7.1658]
_cell_angle_alpha [90.0000]
_cell_angle_beta [119.2427]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Y2ZrSe4]
_chemical_formula_sum '[Y4 Zr2 Se8]'
_cell_volume [369.0385]
_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  0.2401  0.5000  0.7268  1
  Zr  Zr1  2  0.0000  0.0000  0.0000  1
  Se  Se2  4  0.1153  0.0000  0.4356  1
  Se  Se3  4  0.1242  0.5000  0.9674  1
]