data_LiCrSi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.66
_cell_length_b   4.66
_cell_length_c   4.66
_cell_angle_alpha   135.81
_cell_angle_beta   135.81
_cell_angle_gamma   64.28
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiCrSi2
_chemical_formula_sum   'Li1 Cr1 Si2'
_cell_volume   48.4
_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
  Li  Li1  1  0.0  0.0  0.0  1.0
  Cr  Cr0  1  0.0  0.75  0.97  1.0
  Si  Si2  1  0.75  0.0  0.97  1.0
  Si  Si3  1  0.0  0.0  0.94  1.0

data_LiCrSi2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.5
_cell_length_b   3.5
_cell_length_c   4.66
_cell_angle_alpha   112.1
_cell_angle_beta   112.1
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiCrSi2
_chemical_formula_sum   'Li1 Cr1 Si2'
_cell_volume   48.4
_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
  Li  Li0  1  0.0  0.0  0.0  1.0
  Cr  Cr1  1  0.22  0.97  0.22  1.0
  Si  Si2  1  0.94  0.94  0.94  1.0
  Si  Si3  1  0.97  0.22  0.22  1.0

Li Cr Si Si