data_[Ca2Nd2Ga2Pt2]
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
  Ga  1.8100  1.3000  0.7600
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [4.3237]
_cell_length_b [4.0633]
_cell_length_c [11.3863]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [CaNdGaPt]
_chemical_formula_sum '[Ca2 Nd2 Ga2 Pt2]'
_cell_volume [200.0434]
_cell_formula_units_Z [2]
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  2  0.5000  0.0000  0.1449  1.0
  Nd  Nd1  2  0.0000  0.0000  0.8573  1.0
  Ga  Ga2  2  0.0000  0.0000  0.5695  1.0
  Pt  Pt3  2  0.5000  0.0000  0.4284  1.0
]