data_[K2La2Mg2Se6]
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
  Mg  1.3100  1.5000  0.8600
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [9.2529]
_cell_length_b [4.4209]
_cell_length_c [10.2129]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.8252]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [KLaMgSe3]
_chemical_formula_sum '[K2 La2 Mg2 Se6]'
_cell_volume [405.6673]
_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  0.1889  0.2500  0.2078  1.0
  La  La1  2  0.3350  0.7500  0.8533  1.0
  Mg  Mg2  2  0.0833  0.2500  0.6032  1.0
  Se  Se3  2  0.1108  0.2500  0.8566  1.0
  Se  Se4  2  0.1967  0.7500  0.5312  1.0
  Se  Se5  2  0.4473  0.7500  0.1519  1.0
]