data_[Ca4Ge4Pt4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Ge  2.0100  1.2500  0.7700
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.0891]
_cell_length_b [5.9594]
_cell_length_c [7.9240]
_cell_angle_alpha [90.0000]
_cell_angle_beta [117.6517]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [CaGePt]
_chemical_formula_sum '[Ca4 Ge4 Pt4]'
_cell_volume [254.7011]
_cell_formula_units_Z [4]
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  0.2079  0.1317  0.8862  1.0
  Ge  Ge1  4  0.2241  0.6263  0.0472  1.0
  Pt  Pt2  4  0.3800  0.6013  0.8074  1.0
]