data_BeSnAs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.95
_cell_length_b   6.95
_cell_length_c   6.95
_cell_angle_alpha   131.95
_cell_angle_beta   131.95
_cell_angle_gamma   70.3
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeSnAs2
_chemical_formula_sum   'Be2 Sn2 As4'
_cell_volume   181.68
_cell_formula_units_Z   2
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
  Be  Be0  1  0.0  0.83  0.84  1.0
  Be  Be1  1  0.0  0.0  0.0  1.0
  Sn  Sn2  1  0.0  0.0  0.68  1.0
  Sn  Sn3  1  0.83  0.0  0.84  1.0
  As  As4  1  0.41  0.1  0.58  1.0
  As  As5  1  0.73  0.59  0.1  1.0
  As  As6  1  0.41  0.73  0.26  1.0
  As  As7  1  0.1  0.24  0.42  1.0

data_BeSnAs2
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.66
_cell_length_b   5.66
_cell_length_c   6.95
_cell_angle_alpha   114.02
_cell_angle_beta   114.02
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeSnAs2
_chemical_formula_sum   'Be2 Sn2 As4'
_cell_volume   181.68
_cell_formula_units_Z   2
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
  Be  Be0  1  0.0  0.0  0.0  1.0
  Be  Be1  1  0.99  0.83  0.99  1.0
  Sn  Sn2  1  0.16  0.0  0.99  1.0
  Sn  Sn3  1  0.32  0.0  0.32  1.0
  As  As4  1  0.47  0.73  0.88  1.0
  As  As5  1  0.49  0.59  0.21  1.0
  As  As6  1  0.52  0.1  0.93  1.0
  As  As7  1  0.82  0.24  0.92  1.0

Be Be Sn Sn As As As As