data_[Ni14Bi2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ni  1.9100  1.3500  0.7400
  Bi  2.0200  1.6000  1.0350
]
_symmetry_space_group_name_H-M [Pmmn]
_cell_length_a [2.8316]
_cell_length_b [3.2361]
_cell_length_c [33.6536]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [59]
_chemical_formula_structural [Ni7Bi]
_chemical_formula_sum '[Ni14 Bi2]'
_cell_volume [308.3747]
_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
[
  Ni  Ni0  2  0.0000  0.0000  0.2999  1
  Ni  Ni1  2  0.0000  0.0000  0.3720  1
  Ni  Ni2  2  0.0000  0.0000  0.4453  1
  Ni  Ni3  2  0.0000  0.0000  0.5182  1
  Ni  Ni4  2  0.0000  0.0000  0.5909  1
  Ni  Ni5  2  0.0000  0.0000  0.6641  1
  Ni  Ni6  2  0.0000  0.0000  0.7375  1
  Bi  Bi7  2  0.0000  0.0000  0.2118  1
]