data_CrSiAs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.08
_cell_length_b   4.74
_cell_length_c   4.74
_cell_angle_alpha   41.97
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrSiAs2
_chemical_formula_sum   'Cr1 Si1 As2'
_cell_volume   61.19
_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
  Cr  Cr2  1  0.04  0.0  0.6  1.0
  Si  Si3  1  0.0  0.0  0.86  1.0
  As  As0  1  0.04  0.0  0.88  1.0
  As  As1  1  0.0  0.0  0.3  1.0

data_CrSiAs2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.39
_cell_length_b   4.08
_cell_length_c   4.74
_cell_angle_alpha   90.0
_cell_angle_beta   110.99
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrSiAs2
_chemical_formula_sum   'Cr1 Si1 As2'
_cell_volume   61.19
_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
  Cr  Cr0  1  0.4  0.04  0.4  1.0
  Si  Si1  1  0.14  0.0  0.14  1.0
  As  As2  1  0.12  0.04  0.12  1.0
  As  As3  1  0.7  0.0  0.7  1.0

Cr Si As As