data_[Sr2La2Cu2Se6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  La  1.1000  1.9500  1.1720
  Cu  1.9000  1.3500  0.8200
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [8.8959]
_cell_length_b [4.2009]
_cell_length_c [9.1671]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.2085]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [SrLaCuSe3]
_chemical_formula_sum '[Sr2 La2 Cu2 Se6]'
_cell_volume [336.0474]
_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
[
  Sr  Sr0  2  0.1742  0.2500  0.2308  1.0
  La  La1  2  0.3308  0.7500  0.8229  1.0
  Cu  Cu2  2  0.0797  0.2500  0.5815  1.0
  Se  Se3  2  0.0998  0.2500  0.8589  1.0
  Se  Se4  2  0.2071  0.7500  0.4998  1.0
  Se  Se5  2  0.4232  0.7500  0.1647  1.0
]