data_[Na2Te1As1Se4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Te  2.1000  1.4000  1.2933
  As  2.1800  1.1500  0.6600
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [4.5893]
_cell_length_b [7.0005]
_cell_length_c [7.3972]
_cell_angle_alpha [80.0698]
_cell_angle_beta [86.3935]
_cell_angle_gamma [73.4045]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Na2TeAsSe4]
_chemical_formula_sum '[Na2 Te1 As1 Se4]'
_cell_volume [224.3189]
_cell_formula_units_Z [1]
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
[
  Na  Na0  1  0.1226  0.5654  0.2438  1.0
  Na  Na1  1  0.8898  0.0089  0.5058  1.0
  Te  Te2  1  0.5915  0.4886  0.7413  1.0
  As  As3  1  0.4573  0.9857  0.0066  1.0
  Se  Se4  1  0.2621  0.3048  0.6151  1.0
  Se  Se5  1  0.4906  0.8307  0.3291  1.0
  Se  Se6  1  0.6561  0.2673  0.0691  1.0
  Se  Se7  1  0.9172  0.7745  0.8763  1.0
]