data_[Y2Cu2Sn2Se6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Cu  1.9000  1.3500  0.8200
  Sn  1.9600  1.4500  0.8300
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [8.5139]
_cell_length_b [4.0391]
_cell_length_c [8.9808]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.4888]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [YCuSnSe3]
_chemical_formula_sum '[Y2 Cu2 Sn2 Se6]'
_cell_volume [300.3144]
_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  0.3270  0.7500  0.8305  1.0
  Cu  Cu1  2  0.0791  0.2500  0.5797  1.0
  Sn  Sn2  2  0.1833  0.2500  0.2380  1.0
  Se  Se3  2  0.0982  0.2500  0.8638  1.0
  Se  Se4  2  0.2255  0.7500  0.5061  1.0
  Se  Se5  2  0.4308  0.7500  0.1637  1.0
]