data_[Zr4Np1Ga15]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  Np  1.3600  1.7500  1.0000
  Ga  1.8100  1.3000  0.7600
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.1517]
_cell_length_b [4.1517]
_cell_length_c [20.7591]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [Zr4NpGa15]
_chemical_formula_sum '[Zr4 Np1 Ga15]'
_cell_volume [357.8234]
_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
[
  Zr  Zr0  2  0.0000  0.0000  0.2057  1
  Zr  Zr1  2  0.0000  0.0000  0.4008  1
  Np  Np2  1  0.0000  0.0000  0.0000  1
  Ga  Ga3  4  0.0000  0.5000  0.1036  1
  Ga  Ga4  4  0.0000  0.5000  0.3032  1
  Ga  Ga5  2  0.0000  0.5000  0.5000  1
  Ga  Ga6  2  0.5000  0.5000  0.2022  1
  Ga  Ga7  2  0.5000  0.5000  0.4023  1
  Ga  Ga8  1  0.5000  0.5000  0.0000  1
]