data_[La2Ni6As6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Ni  1.9100  1.3500  0.7400
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [18.9220]
_cell_length_b [4.0169]
_cell_length_c [12.6924]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [La(NiAs)3]
_chemical_formula_sum '[La2 Ni6 As6]'
_cell_volume [964.7142]
_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
[
  La  La0  2  0.5000  0.0000  0.4985  1
  Ni  Ni1  4  0.4111  0.0000  0.6863  1
  Ni  Ni2  2  0.5000  0.0000  0.2148  1
  As  As3  4  0.3964  0.0000  0.1041  1
  As  As4  2  0.5000  0.0000  0.8117  1
]