data_[Sr2Ca6Pt2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Ca  1.0000  1.8000  1.1400
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [9.2560]
_cell_length_b [4.2351]
_cell_length_c [9.5516]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.4112]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [SrCa3Pt]
_chemical_formula_sum '[Sr2 Ca6 Pt2]'
_cell_volume [350.9157]
_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
[
  Sr  Sr0  1  0.7295  0.5000  0.8267  1.0
  Sr  Sr1  1  0.9603  0.0000  0.2171  1.0
  Ca  Ca2  1  0.0250  0.5000  0.5597  1.0
  Ca  Ca3  1  0.1335  0.0000  0.8867  1.0
  Ca  Ca4  1  0.3581  0.5000  0.2433  1.0
  Ca  Ca5  1  0.3602  0.0000  0.6233  1.0
  Ca  Ca6  1  0.5374  0.0000  0.0412  1.0
  Ca  Ca7  1  0.6902  0.0000  0.4546  1.0
  Pt  Pt8  1  0.3299  0.5000  0.8281  1.0
  Pt  Pt9  1  0.7289  0.5000  0.2643  1.0
]