data_[Ni4Te4As4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ni  1.9100  1.3500  0.7400
  Te  2.1000  1.4000  1.2933
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.3575]
_cell_length_b [6.1003]
_cell_length_c [6.3584]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.7653]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [NiTeAs]
_chemical_formula_sum '[Ni4 Te4 As4]'
_cell_volume [237.3229]
_cell_formula_units_Z [4]
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
[
  Ni  Ni0  4  0.2647  0.5143  0.7520  1
  Te  Te1  4  0.1507  0.1290  0.8493  1
  As  As2  4  0.3692  0.6363  0.1312  1
]