data_[Ca1Fe2Pt1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Fe  1.8300  1.4000  0.8525
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [2.9330]
_cell_length_b [4.6567]
_cell_length_c [5.2244]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.7706]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [CaFe2Pt]
_chemical_formula_sum '[Ca1 Fe2 Pt1]'
_cell_volume [70.7002]
_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  0.5000  0.5000  1
  Fe  Fe1  2  0.2996  0.0000  0.1810  1
  Pt  Pt2  1  0.5000  0.5000  0.0000  1
]