data_[Ca1Er1Pt1Rh1]
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
  Rh  2.2800  1.3500  0.7450
]
_symmetry_space_group_name_H-M [P4mm]
_cell_length_a [3.4120]
_cell_length_b [3.4120]
_cell_length_c [7.0588]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [99]
_chemical_formula_structural [CaErPtRh]
_chemical_formula_sum '[Ca1 Er1 Pt1 Rh1]'
_cell_volume [82.1763]
_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  0.8534  1.0
  Er  Er1  1  0.0000  0.0000  0.3647  1.0
  Pt  Pt2  1  0.5000  0.5000  0.1262  1.0
  Rh  Rh3  1  0.5000  0.5000  0.5836  1.0
]