data_Sn3As
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.14
_cell_length_b   6.14
_cell_length_c   6.14
_cell_angle_alpha   117.04
_cell_angle_beta   117.04
_cell_angle_gamma   117.04
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sn3As
_chemical_formula_sum   'Sn3 As1'
_cell_volume   101.71
_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
  Sn  Sn1  1  0.38  0.49  0.07  1.0
  Sn  Sn2  1  0.62  0.49  0.07  1.0
  Sn  Sn3  1  0.0  0.03  0.07  1.0
  As  As0  1  0.0  0.0  0.0  1.0

data_Sn3As
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.21
_cell_length_b   6.14
_cell_length_c   6.14
_cell_angle_alpha   117.04
_cell_angle_beta   100.02
_cell_angle_gamma   100.02
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sn3As
_chemical_formula_sum   'Sn3 As1'
_cell_volume   101.71
_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
  Sn  Sn0  1  0.07  0.07  0.04  1.0
  Sn  Sn1  1  0.07  0.45  0.58  1.0
  Sn  Sn2  1  0.07  0.69  0.58  1.0
  As  As3  1  0.0  0.0  0.0  1.0

Sn Sn Sn As
Sn Sn Sn As 0 1 o o o 2 3 o o o 