data_[K2Cr2Si4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Cr  1.6600  1.4000  0.9400
  Si  1.9000  1.1000  0.5400
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [7.9955]
_cell_length_b [3.2204]
_cell_length_c [7.5899]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.5516]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [KCrSi2]
_chemical_formula_sum '[K2 Cr2 Si4]'
_cell_volume [176.3159]
_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
[
  K  K0  2  0.2900  0.5000  0.2590  1
  Cr  Cr1  2  0.0695  0.5000  0.7455  1
  Si  Si2  2  0.2260  0.0000  0.6258  1
  Si  Si3  2  0.4145  0.5000  0.8696  1
]