data_[Ce2Sc1As3Pt4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Sc  1.3600  1.6000  0.8850
  As  2.1800  1.1500  0.6600
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [P-4m2]
_cell_length_a [4.2366]
_cell_length_b [4.2366]
_cell_length_c [11.1586]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [115]
_chemical_formula_structural [Ce2ScAs3Pt4]
_chemical_formula_sum '[Ce2 Sc1 As3 Pt4]'
_cell_volume [200.2807]
_cell_formula_units_Z [1]
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
[
  Ce  Ce0  2  0.0000  0.5000  0.7761  1
  Sc  Sc1  1  0.5000  0.5000  0.5000  1
  As  As2  2  0.0000  0.5000  0.1339  1
  As  As3  1  0.0000  0.0000  0.5000  1
  Pt  Pt4  2  0.0000  0.5000  0.3545  1
  Pt  Pt5  1  0.0000  0.0000  0.0000  1
  Pt  Pt6  1  0.5000  0.5000  0.0000  1
]