data_[La2Pr4Ni4B4As6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Pr  1.1300  1.8500  1.0600
  Ni  1.9100  1.3500  0.7400
  B  2.0400  0.8500  0.4100
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.1736]
_cell_length_b [4.1736]
_cell_length_c [22.4140]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [139]
_chemical_formula_structural [LaPr2Ni2B2As3]
_chemical_formula_sum '[La2 Pr4 Ni4 B4 As6]'
_cell_volume [390.4303]
_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  0.0000  0.0000  0.0000  1
  Pr  Pr1  4  0.0000  0.0000  0.3561  1
  Ni  Ni2  4  0.0000  0.5000  0.2500  1
  B  B3  4  0.0000  0.0000  0.2248  1
  As  As4  4  0.0000  0.0000  0.1321  1
  As  As5  2  0.0000  0.0000  0.5000  1
]