data_[La2Zr1Bi1Pt1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Zr  1.3300  1.5500  0.8600
  Bi  2.0200  1.6000  1.0350
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [6.0930]
_cell_length_b [6.0930]
_cell_length_c [5.0413]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [La2ZrBiPt]
_chemical_formula_sum '[La2 Zr1 Bi1 Pt1]'
_cell_volume [187.1539]
_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
[
  La  La0  2  0.0000  0.5000  0.0000  1
  Zr  Zr1  1  0.5000  0.5000  0.5000  1
  Bi  Bi2  1  0.0000  0.0000  0.0000  1
  Pt  Pt3  1  0.0000  0.0000  0.5000  1
]