data_[Ba2In2Ni2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  In  1.7800  1.5500  0.9400
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [5.1090]
_cell_length_b [4.3266]
_cell_length_c [8.0852]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.4629]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [BaInNi]
_chemical_formula_sum '[Ba2 In2 Ni2]'
_cell_volume [176.7740]
_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
[
  Ba  Ba0  2  0.2820  0.7500  0.6886  1.0
  In  In1  2  0.1627  0.7500  0.1273  1.0
  Ni  Ni2  2  0.3665  0.2500  0.9855  1.0
]