data_[Sr4Ca12Pt4]
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 [Amm2]
_cell_length_a [4.2389]
_cell_length_b [10.6714]
_cell_length_c [15.5719]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [SrCa3Pt]
_chemical_formula_sum '[Sr4 Ca12 Pt4]'
_cell_volume [704.3930]
_cell_formula_units_Z [4]
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  4  0.5000  0.2019  0.0809  1.0
  Ca  Ca1  4  0.5000  0.2175  0.8266  1.0
  Ca  Ca2  2  0.0000  0.0000  0.2820  1.0
  Ca  Ca3  2  0.0000  0.0000  0.6706  1.0
  Ca  Ca4  2  0.0000  0.0000  0.9350  1.0
  Ca  Ca5  2  0.5000  0.0000  0.4662  1.0
  Pt  Pt6  4  0.0000  0.2080  0.4430  1.0
]