data_[Y2Ti2Mn2Si4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Ti  1.5400  1.4000  0.8517
  Mn  1.5500  1.4000  0.6483
  Si  1.9000  1.1000  0.5400
]
_symmetry_space_group_name_H-M [I-4m2]
_cell_length_a [3.9249]
_cell_length_b [3.9249]
_cell_length_c [11.0147]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [119]
_chemical_formula_structural [YTiMnSi2]
_chemical_formula_sum '[Y2 Ti2 Mn2 Si4]'
_cell_volume [169.6806]
_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
[
  Y  Y0  2  0.0000  0.0000  0.0000  1
  Ti  Ti1  2  0.0000  0.5000  0.7500  1
  Mn  Mn2  2  0.0000  0.5000  0.2500  1
  Si  Si3  4  0.0000  0.0000  0.3904  1
]