data_TaGe2Se
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.19
_cell_length_b   3.19
_cell_length_c   8.01
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   91.21
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaGe2Se
_chemical_formula_sum   'Ta1 Ge2 Se1'
_cell_volume   81.64
_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
  Ta  Ta3  1  0.23  0.0  0.86  1.0
  Ge  Ge0  1  0.0  0.0  0.19  1.0
  Ge  Ge1  1  0.23  0.0  0.59  1.0
  Se  Se2  1  0.0  0.0  0.38  1.0

data_TaGe2Se
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.19
_cell_length_b   3.19
_cell_length_c   8.01
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   TaGe2Se
_chemical_formula_sum   'Ta1 Ge2 Se1'
_cell_volume   81.66
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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
  Ta  Ta0  1  0.23  0.0  0.86  1.0
  Ge  Ge1  1  0.0  0.0  0.19  1.0
  Ge  Ge2  1  0.23  0.0  0.59  1.0
  Se  Se3  1  0.0  0.0  0.38  1.0

Ta Ge Ge Se
Ta Ge Ge Se 0 2 o o o 1 3 o o o 2 3 o o o 