data_GaTe2Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.12
_cell_length_b   3.12
_cell_length_c   10.04
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   92.04
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaTe2Pd
_chemical_formula_sum   'Ga1 Te2 Pd1'
_cell_volume   97.7
_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  0.4  1.0
  Te  Te2  1  0.0  0.0  0.75  1.0
  Te  Te3  1  0.17  0.0  0.05  1.0
  Pd  Pd1  1  0.17  0.0  0.86  1.0

data_GaTe2Pd
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.12
_cell_length_b   3.12
_cell_length_c   10.04
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   GaTe2Pd
_chemical_formula_sum   'Ga1 Te2 Pd1'
_cell_volume   97.76
_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
  Ga  Ga0  1  0.0  0.0  0.4  1.0
  Te  Te1  1  0.0  0.0  0.75  1.0
  Te  Te2  1  0.17  0.0  0.05  1.0
  Pd  Pd3  1  0.17  0.0  0.86  1.0

Ga Te Te Pd
Ga Te Te Pd 0 0 o + o 0 0 + o o 0 2 o o o 0 1 o o o 1 3 o o o 2 3 o o - 