data_[La4Mg2Mn4]
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
  Mn  1.5500  1.4000  0.6483
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [7.8182]
_cell_length_b [7.8182]
_cell_length_c [4.1729]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [127]
_chemical_formula_structural [La2MgMn2]
_chemical_formula_sum '[La4 Mg2 Mn4]'
_cell_volume [255.0712]
_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  4  0.1691  0.6691  0.5000  1
  Mg  Mg1  2  0.0000  0.0000  0.0000  1
  Mn  Mn2  4  0.1188  0.3812  0.0000  1
]