data_[Ca4In6Ga4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  In  1.7800  1.5500  0.9400
  Ga  1.8100  1.3000  0.7600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.1860]
_cell_length_b [4.5609]
_cell_length_c [7.0209]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.4584]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ca2In3Ga2]
_chemical_formula_sum '[Ca4 In6 Ga4]'
_cell_volume [355.1675]
_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  4  0.1229  0.5000  0.3344  1.0
  In  In1  4  0.1933  0.5000  0.8480  1.0
  In  In2  2  0.0000  0.0000  0.0000  1.0
  Ga  Ga3  4  0.0883  0.0000  0.6374  1.0
]