data_[Sr6In6Ni4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  In  1.7800  1.5500  0.9400
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.3008]
_cell_length_b [4.3400]
_cell_length_c [5.6610]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.2752]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sr3In3Ni2]
_chemical_formula_sum '[Sr6 In6 Ni4]'
_cell_volume [442.4148]
_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
[
  Sr  Sr0  4  0.1615  0.0000  0.5746  1.0
  Sr  Sr1  2  0.0000  0.0000  0.0000  1.0
  In  In2  4  0.1470  0.5000  0.0705  1.0
  In  In3  2  0.0000  0.5000  0.5000  1.0
  Ni  Ni4  4  0.2257  0.0000  0.0808  1.0
]