data_GaTc2Se
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.78
_cell_length_b   5.78
_cell_length_c   5.78
_cell_angle_alpha   149.04
_cell_angle_beta   140.39
_cell_angle_gamma   51.11
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaTc2Se
_chemical_formula_sum   'Ga1 Tc2 Se1'
_cell_volume   62.93
_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
  Ga  Ga0  1  0.0  0.0  0.57  1.0
  Tc  Tc2  1  0.0  0.0  0.13  1.0
  Tc  Tc3  1  0.54  0.0  0.21  1.0
  Se  Se1  1  0.0  0.96  0.93  1.0

data_GaTc2Se
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.08
_cell_length_b   3.92
_cell_length_c   5.78
_cell_angle_alpha   109.81
_cell_angle_beta   105.48
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaTc2Se
_chemical_formula_sum   'Ga1 Tc2 Se1'
_cell_volume   62.93
_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
  Ga  Ga0  1  0.0  0.57  0.57  1.0
  Tc  Tc1  1  0.0  0.13  0.13  1.0
  Tc  Tc2  1  0.0  0.21  0.67  1.0
  Se  Se3  1  0.04  0.98  0.98  1.0

Ga Tc Tc Se
Ga Tc Tc Se 0 2 - o o 1 3 o - - 