data_[Mn2Al3Si2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mn  1.5500  1.4000  0.6483
  Al  1.6100  1.2500  0.6750
  Si  1.9000  1.1000  0.5400
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [3.0187]
_cell_length_b [4.3738]
_cell_length_c [7.6957]
_cell_angle_alpha [92.4620]
_cell_angle_beta [98.2026]
_cell_angle_gamma [109.1609]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Mn2Al3Si2]
_chemical_formula_sum '[Mn2 Al3 Si2]'
_cell_volume [94.5584]
_cell_formula_units_Z [1]
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
[
  Mn  Mn0  2  0.0113  0.8967  0.6752  1.0
  Al  Al1  2  0.3557  0.5004  0.8142  1.0
  Al  Al2  1  0.0000  0.0000  0.0000  1.0
  Si  Si3  2  0.3363  0.7122  0.4402  1.0
]