data_[Mg8Ta4Ni12Sb12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Ta  1.5000  1.4500  0.8200
  Ni  1.9100  1.3500  0.7400
  Sb  2.0500  1.4500  0.8300
]
_symmetry_space_group_name_H-M [Cc]
_cell_length_a [7.4080]
_cell_length_b [12.8078]
_cell_length_c [7.3778]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.4721]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [9]
_chemical_formula_structural [Mg2Ta(NiSb)3]
_chemical_formula_sum '[Mg8 Ta4 Ni12 Sb12]'
_cell_volume [659.9737]
_cell_formula_units_Z [4]
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
[
  Mg  Mg0  4  0.2458  0.0834  0.9987  1
  Mg  Mg1  4  0.2524  0.2497  0.4988  1
  Ta  Ta2  4  0.2522  0.4172  0.0021  1
  Ni  Ni3  4  0.1097  0.0838  0.6205  1
  Ni  Ni4  4  0.1312  0.2584  0.1207  1
  Ni  Ni5  4  0.1345  0.4235  0.6349  1
  Sb  Sb6  4  0.0017  0.2528  0.7485  1
  Sb  Sb7  4  0.0038  0.0871  0.2473  1
  Sb  Sb8  4  0.4936  0.0835  0.7535  1
]