data_[Al1Pt1Se4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Al  1.6100  1.2500  0.6750
  Pt  2.2800  1.3500  0.8050
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [6.3188]
_cell_length_b [3.8719]
_cell_length_c [6.4512]
_cell_angle_alpha [90.0000]
_cell_angle_beta [118.5551]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [AlPtSe4]
_chemical_formula_sum '[Al1 Pt1 Se4]'
_cell_volume [138.6363]
_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
[
  Al  Al0  1  0.0000  0.0000  0.5000  1
  Pt  Pt1  1  0.5000  0.5000  0.5000  1
  Se  Se2  2  0.0479  0.5000  0.2611  1
  Se  Se3  2  0.4558  0.0000  0.7322  1
]