data_[La2Mg2Cu2Se6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Mg  1.3100  1.5000  0.8600
  Cu  1.9000  1.3500  0.8200
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [8.0816]
_cell_length_b [4.0248]
_cell_length_c [8.7975]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.8413]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [LaMgCuSe3]
_chemical_formula_sum '[La2 Mg2 Cu2 Se6]'
_cell_volume [278.9986]
_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
[
  La  La0  2  0.1850  0.2500  0.2442  1.0
  Mg  Mg1  2  0.3397  0.7500  0.8464  1.0
  Cu  Cu2  2  0.0754  0.2500  0.5793  1.0
  Se  Se3  2  0.1017  0.2500  0.8648  1.0
  Se  Se4  2  0.2408  0.7500  0.5216  1.0
  Se  Se5  2  0.4293  0.7500  0.1588  1.0
]