data_[Ca6La4Pt4]
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 [C2/m]
_cell_length_a [13.0203]
_cell_length_b [4.0792]
_cell_length_c [8.7772]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.5205]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ca3(LaPt)2]
_chemical_formula_sum '[Ca6 La4 Pt4]'
_cell_volume [433.6839]
_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  4  0.1277  0.5000  0.4249  1
  Ca  Ca1  2  0.0000  0.5000  0.0000  1
  La  La2  4  0.1665  0.0000  0.8139  1
  Pt  Pt3  4  0.1817  0.0000  0.1950  1
]