data_Cr2SnAs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.64
_cell_length_b   3.86
_cell_length_c   4.71
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cr2SnAs
_chemical_formula_sum   'Cr2 Sn1 As1'
_cell_volume   66.21
_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  Cr1  1  0.0  0.0  0.0  1.0
  Cr  Cr2  1  0.0  0.93  0.36  1.0
  Sn  Sn3  1  0.82  0.93  0.0  1.0
  As  As0  1  0.82  0.0  0.36  1.0

data_Cr2SnAs
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.64
_cell_length_b   3.86
_cell_length_c   4.71
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cr2SnAs
_chemical_formula_sum   'Cr2 Sn1 As1'
_cell_volume   66.21
_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  -0.0  0.93  0.36  1.0
  Cr  Cr1  1  0.0  0.0  0.0  1.0
  Sn  Sn2  1  0.82  0.93  -0.0  1.0
  As  As3  1  0.82  0.0  0.36  1.0

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