data_[Ca1Ga6Pt4]
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
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [7.3723]
_cell_length_b [7.3723]
_cell_length_c [4.1133]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [187]
_chemical_formula_structural [Ca(Ga3Pt2)2]
_chemical_formula_sum '[Ca1 Ga6 Pt4]'
_cell_volume [193.6112]
_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  0.1950  0.3900  0.5000  1.0
  Ga  Ga2  3  0.5338  0.0676  0.0000  1.0
  Pt  Pt3  3  0.4074  0.2037  0.5000  1.0
  Pt  Pt4  1  0.3333  0.6667  0.0000  1.0
]