data_[Ca4Ga6Ni2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Ga  1.8100  1.3000  0.7600
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [10.5423]
_cell_length_b [4.3518]
_cell_length_c [7.2160]
_cell_angle_alpha [90.0000]
_cell_angle_beta [132.3227]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Ca2Ga3Ni]
_chemical_formula_sum '[Ca4 Ga6 Ni2]'
_cell_volume [244.7681]
_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
[
  Ca  Ca0  2  0.0574  0.5000  0.3025  1
  Ca  Ca1  2  0.4477  0.0000  0.7044  1
  Ga  Ga2  2  0.1407  0.0000  0.6873  1
  Ga  Ga3  2  0.1853  0.0000  0.1179  1
  Ga  Ga4  2  0.3305  0.5000  0.9124  1
  Ni  Ni5  2  0.3384  0.5000  0.2755  1
]