data_[Zr2Np2Re2]
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
  Re  1.9000  1.3500  0.7125
]
_symmetry_space_group_name_H-M [Pmmn]
_cell_length_a [4.5441]
_cell_length_b [4.6405]
_cell_length_c [6.6148]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [59]
_chemical_formula_structural [ZrNpRe]
_chemical_formula_sum '[Zr2 Np2 Re2]'
_cell_volume [139.4862]
_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
[
  Zr  Zr0  2  0.0000  0.0000  0.0156  1
  Np  Np1  2  0.0000  0.0000  0.5243  1
  Re  Re2  2  0.0000  0.5000  0.2529  1
]