data_Tc2SnAs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.95
_cell_length_b   5.95
_cell_length_c   5.95
_cell_angle_alpha   149.13
_cell_angle_beta   140.76
_cell_angle_gamma   50.74
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tc2SnAs
_chemical_formula_sum   'Tc2 Sn1 As1'
_cell_volume   68.16
_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
  Tc  Tc2  1  0.0  0.0  0.32  1.0
  Tc  Tc3  1  0.58  0.0  0.11  1.0
  Sn  Sn1  1  0.0  1.0  0.29  1.0
  As  As0  1  0.0  0.0  0.03  1.0

data_Tc2SnAs
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.17
_cell_length_b   4.0
_cell_length_c   5.95
_cell_angle_alpha   109.62
_cell_angle_beta   105.43
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tc2SnAs
_chemical_formula_sum   'Tc2 Sn1 As1'
_cell_volume   68.16
_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
  Tc  Tc0  1  0.47  0.89  0.47  1.0
  Tc  Tc1  1  0.68  0.68  0.68  1.0
  Sn  Sn2  1  0.71  0.71  0.71  1.0
  As  As3  1  0.97  0.97  0.97  1.0

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