data_[Ca6La2Pt4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  La  1.1000  1.9500  1.1720
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [Pmc2_1]
_cell_length_a [4.5779]
_cell_length_b [9.3370]
_cell_length_c [7.6327]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [26]
_chemical_formula_structural [Ca3LaPt2]
_chemical_formula_sum '[Ca6 La2 Pt4]'
_cell_volume [326.2494]
_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  0.0000  0.0854  0.4791  1
  Ca  Ca1  2  0.0000  0.3116  0.8617  1
  Ca  Ca2  2  0.5000  0.1727  0.1454  1
  La  La3  2  0.5000  0.4152  0.5213  1
  Pt  Pt4  2  0.0000  0.3721  0.2544  1
  Pt  Pt5  2  0.5000  0.1446  0.7381  1
]