data_[Nd4In6As6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  In  1.7800  1.5500  0.9400
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [Cmm2]
_cell_length_a [5.5342]
_cell_length_b [14.7056]
_cell_length_c [18.1657]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [35]
_chemical_formula_structural [Nd2(InAs)3]
_chemical_formula_sum '[Nd4 In6 As6]'
_cell_volume [1478.3855]
_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  0.0000  0.1514  0.4619  1
  In  In1  4  0.0000  0.3201  0.5884  1
  In  In2  2  0.0000  0.5000  0.5010  1
  As  As3  4  0.0000  0.3498  0.4141  1
  As  As4  2  0.0000  0.0000  0.5702  1
]