data_[La2Cu2Sn2Se6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  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 [8.8994]
_cell_length_b [4.0683]
_cell_length_c [8.9505]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.5756]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [LaCuSnSe3]
_chemical_formula_sum '[La2 Cu2 Sn2 Se6]'
_cell_volume [321.2257]
_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
[
  La  La0  2  0.1512  0.7500  0.2253  1
  Cu  Cu1  2  0.0742  0.7500  0.5747  1
  Sn  Sn2  2  0.3527  0.2500  0.8349  1
  Se  Se3  2  0.1058  0.7500  0.8611  1
  Se  Se4  2  0.2068  0.2500  0.4861  1
  Se  Se5  2  0.3915  0.2500  0.1518  1
]