data_[Mn14Ga14Ni28]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mn  1.5500  1.4000  0.6483
  Ga  1.8100  1.3000  0.7600
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [Pnnm]
_cell_length_a [4.2149]
_cell_length_b [29.3430]
_cell_length_c [5.4743]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [58]
_chemical_formula_structural [MnGaNi2]
_chemical_formula_sum '[Mn14 Ga14 Ni28]'
_cell_volume [677.0482]
_cell_formula_units_Z [14]
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
[
  Mn  Mn0  4  0.0333  0.6430  0.0000  1
  Mn  Mn1  4  0.0521  0.9286  0.0000  1
  Mn  Mn2  4  0.0530  0.2140  0.0000  1
  Mn  Mn3  2  0.0000  0.5000  0.0000  1
  Ga  Ga4  4  0.0379  0.6429  0.5000  1
  Ga  Ga5  4  0.0510  0.9285  0.5000  1
  Ga  Ga6  4  0.0557  0.2149  0.5000  1
  Ga  Ga7  2  0.0000  0.5000  0.5000  1
  Ni  Ni8  8  0.0383  0.8573  0.2506  1
  Ni  Ni9  8  0.0569  0.5713  0.2504  1
  Ni  Ni10  8  0.0589  0.2859  0.2503  1
  Ni  Ni11  4  0.0000  0.0000  0.2503  1
]