data_[Mn2Al2Si4]
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 [Cm]
_cell_length_a [8.7843]
_cell_length_b [2.7224]
_cell_length_c [4.3524]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.5677]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [MnAlSi2]
_chemical_formula_sum '[Mn2 Al2 Si4]'
_cell_volume [103.4030]
_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
[
  Mn  Mn0  2  0.2529  0.0000  0.7588  1
  Al  Al1  2  0.0091  0.5000  0.5022  1
  Si  Si2  2  0.2516  0.5000  0.2520  1
  Si  Si3  2  0.4864  0.5000  0.9870  1
]