data_[Ce2Nd2Se2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Nd  1.1400  1.8500  1.2765
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [4.1622]
_cell_length_b [4.1678]
_cell_length_c [8.8196]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.3694]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [CeNdSe]
_chemical_formula_sum '[Ce2 Nd2 Se2]'
_cell_volume [152.9944]
_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
[
  Ce  Ce0  2  0.2633  0.2500  0.9993  1
  Nd  Nd1  2  0.2507  0.7500  0.6363  1
  Se  Se2  2  0.2477  0.7500  0.2793  1
]