data_[La4Zr8Ni15As16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Zr  1.3300  1.5500  0.8600
  Ni  1.9100  1.3500  0.7400
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [9.4381]
_cell_length_b [3.9726]
_cell_length_c [19.7359]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.8534]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [La4Zr8Ni15As16]
_chemical_formula_sum '[La4 Zr8 Ni15 As16]'
_cell_volume [733.0301]
_cell_formula_units_Z [1]
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  1  0.3606  0.5000  0.1218  1
  La  La1  1  0.3693  0.5000  0.6257  1
  La  La2  1  0.6178  0.0000  0.8710  1
  La  La3  1  0.6379  0.0000  0.3778  1
  Zr  Zr4  1  0.1230  0.5000  0.9474  1
  Zr  Zr5  1  0.1310  0.5000  0.4475  1
  Zr  Zr6  1  0.1407  0.5000  0.2722  1
  Zr  Zr7  1  0.1569  0.5000  0.7753  1
  Zr  Zr8  1  0.8561  0.0000  0.2271  1
  Zr  Zr9  1  0.8625  0.0000  0.7270  1
  Zr  Zr10  1  0.8653  0.0000  0.0501  1
  Zr  Zr11  1  0.8772  0.0000  0.5537  1
  Ni  Ni12  1  0.1106  0.0000  0.1596  1
  Ni  Ni13  1  0.1196  0.0000  0.6602  1
  Ni  Ni14  1  0.2869  0.0000  0.8646  1
  Ni  Ni15  1  0.2921  0.0000  0.3620  1
  Ni  Ni16  1  0.3816  0.0000  0.9918  1
  Ni  Ni17  1  0.3921  0.0000  0.4905  1
  Ni  Ni18  1  0.4321  0.5000  0.2975  1
  Ni  Ni19  1  0.5649  0.0000  0.2024  1
  Ni  Ni20  1  0.5705  0.0000  0.7036  1
  Ni  Ni21  1  0.6089  0.5000  0.0102  1
  Ni  Ni22  1  0.6151  0.5000  0.5096  1
  Ni  Ni23  1  0.7057  0.5000  0.1383  1
  Ni  Ni24  1  0.7146  0.5000  0.6374  1
  Ni  Ni25  1  0.8858  0.5000  0.3401  1
  Ni  Ni26  1  0.8883  0.5000  0.8389  1
  As  As27  1  0.0296  0.0000  0.8498  1
  As  As28  1  0.0311  0.0000  0.3506  1
  As  As29  1  0.1607  0.0000  0.0424  1
  As  As30  1  0.1734  0.0000  0.5432  1
  As  As31  1  0.3311  0.0000  0.2403  1
  As  As32  1  0.3379  0.0000  0.7438  1
  As  As33  1  0.4014  0.5000  0.9192  1
  As  As34  1  0.4097  0.5000  0.4194  1
  As  As35  1  0.5886  0.0000  0.0808  1
  As  As36  1  0.5970  0.0000  0.5816  1
  As  As37  1  0.6659  0.5000  0.2596  1
  As  As38  1  0.6703  0.5000  0.7587  1
  As  As39  1  0.8228  0.5000  0.9537  1
  As  As40  1  0.8361  0.5000  0.4583  1
  As  As41  1  0.9655  0.5000  0.1485  1
  As  As42  1  0.9772  0.5000  0.6516  1
]