data_GaTe2Ir
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.12
_cell_length_b   4.12
_cell_length_c   6.93
_cell_angle_alpha   106.5
_cell_angle_beta   106.5
_cell_angle_gamma   58.94
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaTe2Ir
_chemical_formula_sum   'Ga1 Te2 Ir1'
_cell_volume   95.16
_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
  Ga  Ga0  1  0.0  0.0  0.0  1.0
  Te  Te2  1  0.82  0.0  0.95  1.0
  Te  Te3  1  0.08  0.0  0.6  1.0
  Ir  Ir1  1  0.45  0.0  0.28  1.0

data_GaTe2Ir
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.05
_cell_length_b   4.12
_cell_length_c   6.93
_cell_angle_alpha   106.5
_cell_angle_beta   90.0
_cell_angle_gamma   119.47
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaTe2Ir
_chemical_formula_sum   'Ga1 Te2 Ir1'
_cell_volume   95.16
_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
  Ga  Ga0  1  0.0  0.0  0.0  1.0
  Te  Te1  1  0.0  0.18  0.05  1.0
  Te  Te2  1  0.0  0.92  0.4  1.0
  Ir  Ir3  1  0.0  0.55  0.72  1.0

Ga Te Te Ir