data_[Ca1Nd1In2Pt4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Nd  1.1400  1.8500  1.2765
  In  1.7800  1.5500  0.9400
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [4.6245]
_cell_length_b [4.6245]
_cell_length_c [9.1239]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [187]
_chemical_formula_structural [CaNd(InPt2)2]
_chemical_formula_sum '[Ca1 Nd1 In2 Pt4]'
_cell_volume [168.9854]
_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
  Nd  Nd1  1  0.6667  0.3333  0.5000  1
  In  In2  2  0.3333  0.6667  0.2409  1
  Pt  Pt3  2  0.0000  0.0000  0.3385  1
  Pt  Pt4  2  0.6667  0.3333  0.1611  1
]