data_KCrSi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.65
_cell_length_b   6.65
_cell_length_c   6.65
_cell_angle_alpha   153.88
_cell_angle_beta   145.99
_cell_angle_gamma   43.38
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KCrSi
_chemical_formula_sum   'K1 Cr1 Si1'
_cell_volume   72.08
_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
  K  K1  1  0.0  0.0  0.25  1.0
  Cr  Cr0  1  0.0  0.0  0.44  1.0
  Si  Si2  1  0.0  0.0  0.01  1.0

data_KCrSi
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.0
_cell_length_b   3.89
_cell_length_c   6.65
_cell_angle_alpha   107.0
_cell_angle_beta   103.06
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KCrSi
_chemical_formula_sum   'K1 Cr1 Si1'
_cell_volume   72.08
_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
  K  K0  1  0.0  0.25  0.25  1.0
  Cr  Cr1  1  0.0  0.44  0.44  1.0
  Si  Si2  1  0.0  0.01  0.01  1.0

K Cr Si