data_[Ca1Ga6Rh4]
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
  Rh  2.2800  1.3500  0.7450
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [7.5048]
_cell_length_b [7.5048]
_cell_length_c [3.7823]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [187]
_chemical_formula_structural [Ca(Ga3Rh2)2]
_chemical_formula_sum '[Ca1 Ga6 Rh4]'
_cell_volume [184.4823]
_cell_formula_units_Z [1]
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  1  0.0000  0.0000  0.0000  1.0
  Ga  Ga1  3  0.1918  0.3836  0.5000  1.0
  Ga  Ga2  3  0.5322  0.0645  0.0000  1.0
  Rh  Rh3  3  0.4061  0.2031  0.5000  1.0
  Rh  Rh4  1  0.3333  0.6667  0.0000  1.0
]