data_CrSnAs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.98
_cell_length_b   4.98
_cell_length_c   4.98
_cell_angle_alpha   124.91
_cell_angle_beta   124.91
_cell_angle_gamma   81.69
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrSnAs2
_chemical_formula_sum   'Cr1 Sn1 As2'
_cell_volume   80.05
_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  0.0  0.0  0.0  1.0
  Sn  Sn3  1  0.0  0.0  0.77  1.0
  As  As0  1  0.0  0.3  0.88  1.0
  As  As1  1  0.3  0.0  0.88  1.0

data_CrSnAs2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.52
_cell_length_b   6.52
_cell_length_c   4.98
_cell_angle_alpha   90.0
_cell_angle_beta   130.85
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   CrSnAs2
_chemical_formula_sum   'Cr2 Sn2 As4'
_cell_volume   160.1
_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
  Cr  Cr0  2  0.0  0.0  0.0  1.0
  Sn  Sn1  2  0.0  0.0  0.77  1.0
  As  As2  4  0.35  0.35  0.58  1.0

Cr Sn As As
Cr Sn As As 0 1 o o - 1 2 o o o 1 3 o o o 