data_[Ta4Ni2As2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ta  1.5000  1.4500  0.8200
  Ni  1.9100  1.3500  0.7400
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [5.1509]
_cell_length_b [3.6100]
_cell_length_c [7.0793]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.7916]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Ta2NiAs]
_chemical_formula_sum '[Ta4 Ni2 As2]'
_cell_volume [123.8627]
_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
[
  Ta  Ta0  2  0.1837  0.7500  0.4269  1.0
  Ta  Ta1  2  0.1906  0.7500  0.9184  1.0
  Ni  Ni2  2  0.3500  0.2500  0.7138  1.0
  As  As3  2  0.3547  0.2500  0.2164  1.0
]