data_[Y2Mn2Si4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Mn  1.5500  1.4000  0.6483
  Si  1.9000  1.1000  0.5400
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [4.4345]
_cell_length_b [3.7816]
_cell_length_c [8.1791]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.0570]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [YMnSi2]
_chemical_formula_sum '[Y2 Mn2 Si4]'
_cell_volume [135.0524]
_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  0.0692  0.2500  0.1995  1.0
  Mn  Mn1  2  0.3871  0.2500  0.6133  1.0
  Si  Si2  2  0.1549  0.7500  0.4772  1.0
  Si  Si3  2  0.4661  0.2500  0.9056  1.0
]