data_[Nd2Co4As6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Co  1.8800  1.3500  0.7683
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [10.5331]
_cell_length_b [3.9474]
_cell_length_c [18.3265]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [NdCo2As3]
_chemical_formula_sum '[Nd2 Co4 As6]'
_cell_volume [761.9753]
_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  2  0.4917  0.5000  0.4353  1
  Co  Co1  2  0.2128  0.5000  0.4699  1
  Co  Co2  2  0.3280  0.0000  0.5358  1
  As  As3  2  0.0405  0.5000  0.5546  1
  As  As4  2  0.2708  0.5000  0.5930  1
  As  As5  2  0.2756  0.0000  0.4115  1
]