data_[K2La2Re4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  La  1.1000  1.9500  1.1720
  Re  1.9000  1.3500  0.7125
]
_symmetry_space_group_name_H-M [Cmm2]
_cell_length_a [3.2487]
_cell_length_b [4.9492]
_cell_length_c [11.4502]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [35]
_chemical_formula_structural [KLaRe2]
_chemical_formula_sum '[K2 La2 Re4]'
_cell_volume [184.1016]
_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
[
  K  K0  2  0.0000  0.0000  0.5421  1
  La  La1  2  0.0000  0.5000  0.1920  1
  Re  Re2  2  0.0000  0.0000  0.9680  1
  Re  Re3  2  0.0000  0.5000  0.7978  1
]