data_[Sr2La4Nd6Se12]
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
  Nd  1.1400  1.8500  1.2765
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.4317]
_cell_length_b [12.8434]
_cell_length_c [7.4258]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.5354]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [SrLa2(NdSe2)3]
_chemical_formula_sum '[Sr2 La4 Nd6 Se12]'
_cell_volume [667.9718]
_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  0.0000  0.0000  0.0000  1.0
  La  La1  4  0.0000  0.3333  0.0000  1.0
  Nd  Nd2  4  0.0000  0.1651  0.5000  1.0
  Nd  Nd3  2  0.0000  0.5000  0.5000  1.0
  Se  Se4  8  0.2478  0.3327  0.7442  1.0
  Se  Se5  4  0.2489  0.0000  0.7469  1.0
]