data_CaCrSi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.06
_cell_length_b   3.06
_cell_length_c   6.92
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaCrSi2
_chemical_formula_sum   'Ca1 Cr1 Si2'
_cell_volume   64.74
_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
  Ca  Ca0  1  0.0  0.0  0.0  1.0
  Cr  Cr1  1  0.0  0.0  0.46  1.0
  Si  Si2  1  0.53  0.53  0.72  1.0
  Si  Si3  1  0.53  0.53  0.2  1.0

data_CaCrSi2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.33
_cell_length_b   4.33
_cell_length_c   6.92
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   CaCrSi2
_chemical_formula_sum   'Ca2 Cr2 Si4'
_cell_volume   129.48
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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
  Ca  Ca0  2  0.0  0.0  0.0  1.0
  Cr  Cr1  2  0.0  0.0  0.46  1.0
  Si  Si2  2  0.03  0.5  0.2  1.0
  Si  Si3  2  0.03  0.5  0.72  1.0

Ca Cr Si Si
CaCrSi2 is alpha iridium vanadium-derived structured and crystallizes in the monoclinic Cm space group. Ca(1) is bonded in a 8-coordinate geometry to four equivalent Si(1) and four equivalent Si(2) atoms. There are a spread of Ca(1)-Si(1) bond distances ranging from 2.80-2.99 Å. There are a spread of Ca(1)-Si(2) bond distances ranging from 2.46-2.68 Å. Cr(1) is bonded in a 8-coordinate geometry to four equivalent Si(1) and four equivalent Si(2) atoms. There are a spread of Cr(1)-Si(1) bond distances ranging from 2.72-2.91 Å. There are a spread of Cr(1)-Si(2) bond distances ranging from 2.72-2.91 Å. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded in a distorted body-centered cubic geometry to four equivalent Ca(1) and four equivalent Cr(1) atoms. In the second Si site, Si(2) is bonded in a 8-coordinate geometry to four equivalent Ca(1) and four equivalent Cr(1) atoms.