data_NaCrSi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.83
_cell_length_b   4.83
_cell_length_c   2.58
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   110.57
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaCrSi2
_chemical_formula_sum   'Na1 Cr1 Si2'
_cell_volume   56.28
_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
  Na  Na1  1  0.0  0.0  0.0  1.0
  Cr  Cr0  1  0.75  0.0  0.0  1.0
  Si  Si2  1  0.38  0.98  0.29  1.0
  Si  Si3  1  0.38  0.02  0.29  1.0

data_NaCrSi2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.58
_cell_length_b   4.83
_cell_length_c   4.83
_cell_angle_alpha   110.57
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaCrSi2
_chemical_formula_sum   'Na1 Cr1 Si2'
_cell_volume   56.28
_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
  Na  Na0  1  0.0  0.0  0.0  1.0
  Cr  Cr1  1  0.0  0.75  0.0  1.0
  Si  Si2  1  0.29  0.38  0.02  1.0
  Si  Si3  1  0.29  0.38  0.98  1.0

Na Cr Si Si