data_[La8In4Cu4Se20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  In  1.7800  1.5500  0.9400
  Cu  1.9000  1.3500  0.8200
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.1319]
_cell_length_b [17.6200]
_cell_length_c [12.2035]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [La2InCuSe5]
_chemical_formula_sum '[La8 In4 Cu4 Se20]'
_cell_volume [888.4700]
_cell_formula_units_Z [4]
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  4  0.0000  0.1123  0.6861  1.0
  La  La1  4  0.0000  0.1199  0.3029  1.0
  In  In2  4  0.0000  0.1898  0.0009  1.0
  Cu  Cu3  4  0.0000  0.4958  0.9839  1.0
  Se  Se4  4  0.0000  0.0412  0.0605  1.0
  Se  Se5  4  0.0000  0.2897  0.6602  1.0
  Se  Se6  4  0.0000  0.2986  0.3437  1.0
  Se  Se7  4  0.0000  0.3521  0.9992  1.0
  Se  Se8  4  0.0000  0.4962  0.2866  1.0
]