data_[Sr2Nd10Se12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  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 [7.3662]
_cell_length_b [12.7709]
_cell_length_c [7.4044]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.6168]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [SrNd5Se6]
_chemical_formula_sum '[Sr2 Nd10 Se12]'
_cell_volume [656.1201]
_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
  Nd  Nd1  4  0.0000  0.1649  0.5000  1.0
  Nd  Nd2  4  0.0000  0.3324  0.0000  1.0
  Nd  Nd3  2  0.0000  0.5000  0.5000  1.0
  Se  Se4  8  0.2476  0.3321  0.7466  1.0
  Se  Se5  4  0.2473  0.5000  0.2489  1.0
]