data_[La6Ni4As8]
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 [C2/m]
_cell_length_a [11.1611]
_cell_length_b [4.2632]
_cell_length_c [8.4358]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.0819]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La3(NiAs2)2]
_chemical_formula_sum '[La6 Ni4 As8]'
_cell_volume [393.9135]
_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  4  0.1577  0.5000  0.6698  1
  La  La1  2  0.0000  0.0000  0.0000  1
  Ni  Ni2  4  0.1071  0.5000  0.2839  1
  As  As3  4  0.0718  0.0000  0.3801  1
  As  As4  4  0.2131  0.5000  0.0729  1
]