data_MgGaTe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.83
_cell_length_b   3.83
_cell_length_c   8.11
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   110.03
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgGaTe2
_chemical_formula_sum   'Mg1 Ga1 Te2'
_cell_volume   111.97
_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
  Mg  Mg1  1  0.0  0.0  0.0  1.0
  Ga  Ga0  1  0.0  0.0  0.05  1.0
  Te  Te2  1  0.2  0.0  0.91  1.0
  Te  Te3  1  0.2  0.0  0.2  1.0

data_MgGaTe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.83
_cell_length_b   3.83
_cell_length_c   8.11
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   110.03
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgGaTe2
_chemical_formula_sum   'Mg1 Ga1 Te2'
_cell_volume   111.97
_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
  Mg  Mg0  1  0.0  0.0  0.0  1.0
  Ga  Ga1  1  0.0  0.0  0.05  1.0
  Te  Te2  1  0.2  0.0  0.2  1.0
  Te  Te3  1  0.2  0.0  0.91  1.0

Mg Ga Te Te
Mg Ga Te Te 0 1 o o o 0 2 o o - 1 3 o o o 