data_[Ca3Er6Pt27]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Er  1.2400  1.7500  1.0300
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [5.4192]
_cell_length_b [5.4192]
_cell_length_c [26.3947]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [CaEr2Pt9]
_chemical_formula_sum '[Ca3 Er6 Pt27]'
_cell_volume [671.2899]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.0000  1
  Er  Er1  6  0.0000  0.0000  0.1393  1
  Pt  Pt2  18  0.0051  0.5026  0.9142  1
  Pt  Pt3  6  0.0000  0.0000  0.3327  1
  Pt  Pt4  3  -0.0000  -0.0000  0.5000  1
]