data_[Ca4Ru2Pt2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Ru  2.2000  1.3000  0.6610
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [11.1029]
_cell_length_b [3.0222]
_cell_length_c [5.2348]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.0137]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Ca2RuPt]
_chemical_formula_sum '[Ca4 Ru2 Pt2]'
_cell_volume [167.0459]
_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  0.2762  0.5000  0.3181  1
  Ca  Ca1  2  0.4759  0.5000  0.9337  1
  Ru  Ru2  2  0.2165  0.0000  0.7882  1
  Pt  Pt3  2  0.0315  0.5000  0.4600  1
]