data_[Nd6As4Se4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  As  2.1800  1.1500  0.6600
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [15.2550]
_cell_length_b [4.2652]
_cell_length_c [7.5224]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.9630]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nd3(AsSe)2]
_chemical_formula_sum '[Nd6 As4 Se4]'
_cell_volume [443.7237]
_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
[
  Nd  Nd0  4  0.2191  0.5000  0.2156  1
  Nd  Nd1  2  0.0000  0.0000  0.5000  1
  As  As2  4  0.1419  0.5000  0.5192  1
  Se  Se3  4  0.1239  0.0000  0.9334  1
]