data_[La2Mn2Si2Bi2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Mn  1.5500  1.4000  0.6483
  Si  1.9000  1.1000  0.5400
  Bi  2.0200  1.6000  1.0350
]
_symmetry_space_group_name_H-M [I4mm]
_cell_length_a [4.0908]
_cell_length_b [4.0908]
_cell_length_c [11.6823]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [107]
_chemical_formula_structural [LaMnSiBi]
_chemical_formula_sum '[La2 Mn2 Si2 Bi2]'
_cell_volume [195.5007]
_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  0.0000  0.0000  0.9785  1
  Mn  Mn1  2  0.0000  0.0000  0.4611  1
  Si  Si2  2  0.0000  0.0000  0.2627  1
  Bi  Bi3  2  0.0000  0.0000  0.6873  1
]