data_[K2La2Mo2]
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
  Mo  2.1600  1.4500  0.7750
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [3.2857]
_cell_length_b [4.5077]
_cell_length_c [13.9830]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [44]
_chemical_formula_structural [KLaMo]
_chemical_formula_sum '[K2 La2 Mo2]'
_cell_volume [207.0977]
_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  0.0022  1
  La  La1  2  0.0000  0.0000  0.2582  1
  Mo  Mo2  2  0.0000  0.0000  0.7396  1
]