data_[Nb2Sn2As4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nb  1.6000  1.4500  0.8200
  Sn  1.9600  1.4500  0.8300
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [3.4606]
_cell_length_b [8.9890]
_cell_length_c [18.8686]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [NbSnAs2]
_chemical_formula_sum '[Nb2 Sn2 As4]'
_cell_volume [586.9491]
_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
[
  Nb  Nb0  1  0.0000  0.5000  0.5165  1
  Nb  Nb1  1  0.5000  0.0000  0.5156  1
  Sn  Sn2  2  0.5000  0.2787  0.4269  1
  As  As3  2  0.0000  0.2118  0.5490  1
  As  As4  1  0.0000  0.0000  0.4056  1
  As  As5  1  0.5000  0.5000  0.6106  1
]