data_[Tb4Ni2As4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Ni  1.9100  1.3500  0.7400
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [P6_3mc]
_cell_length_a [4.1307]
_cell_length_b [4.1307]
_cell_length_c [14.2255]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [186]
_chemical_formula_structural [Tb2NiAs2]
_chemical_formula_sum '[Tb4 Ni2 As4]'
_cell_volume [210.2036]
_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
[
  Tb  Tb0  2  0.3333  0.6667  0.1476  1.0
  Tb  Tb1  2  0.3333  0.6667  0.8819  1.0
  Ni  Ni2  2  0.0000  0.0000  0.0022  1.0
  As  As3  2  0.0000  0.0000  0.2668  1.0
  As  As4  2  0.3333  0.6667  0.5172  1.0
]