data_[Ca1Er4Pt5]
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 [P4/mmm]
_cell_length_a [3.5279]
_cell_length_b [3.5279]
_cell_length_c [16.8182]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [CaEr4Pt5]
_chemical_formula_sum '[Ca1 Er4 Pt5]'
_cell_volume [209.3229]
_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
  Er  Er1  2  0.0000  0.0000  0.2019  1.0
  Er  Er2  2  0.0000  0.0000  0.4010  1.0
  Pt  Pt3  2  0.5000  0.5000  0.1135  1.0
  Pt  Pt4  2  0.5000  0.5000  0.3040  1.0
  Pt  Pt5  1  0.5000  0.5000  0.5000  1.0
]