data_[Rb4Tc4Ni4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Tc  1.9000  1.3500  0.7417
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.2430]
_cell_length_b [4.1821]
_cell_length_c [12.0420]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.2981]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [RbTcNi]
_chemical_formula_sum '[Rb4 Tc4 Ni4]'
_cell_volume [359.9751]
_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
[
  Rb  Rb0  4  0.2469  0.5000  0.2974  1
  Tc  Tc1  4  0.1669  0.5000  0.9972  1
  Ni  Ni2  4  0.0262  0.0000  0.1018  1
]