data_[Li2Ca2Sc2Pt4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Ca  1.0000  1.8000  1.1400
  Sc  1.3600  1.6000  0.8850
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [I-4m2]
_cell_length_a [4.1252]
_cell_length_b [4.1252]
_cell_length_c [12.0739]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [119]
_chemical_formula_structural [LiCaScPt2]
_chemical_formula_sum '[Li2 Ca2 Sc2 Pt4]'
_cell_volume [205.4609]
_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
[
  Li  Li0  2  0.0000  0.5000  0.2500  1.0
  Ca  Ca1  2  0.0000  0.0000  0.0000  1.0
  Sc  Sc2  2  0.0000  0.5000  0.7500  1.0
  Pt  Pt3  4  0.0000  0.0000  0.3902  1.0
]