data_MgTe2Ir
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.77
_cell_length_b   6.77
_cell_length_c   6.77
_cell_angle_alpha   152.99
_cell_angle_beta   138.99
_cell_angle_gamma   49.8
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgTe2Ir
_chemical_formula_sum   'Mg1 Te2 Ir1'
_cell_volume   92.09
_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  0.9  1.0
  Te  Te2  1  0.0  0.37  0.84  1.0
  Te  Te3  1  0.0  0.0  0.54  1.0
  Ir  Ir0  1  0.0  0.37  0.14  1.0

data_MgTe2Ir
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.16
_cell_length_b   4.74
_cell_length_c   6.77
_cell_angle_alpha   110.51
_cell_angle_beta   103.5
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgTe2Ir
_chemical_formula_sum   'Mg1 Te2 Ir1'
_cell_volume   92.09
_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  0.1  0.1  0.1  1.0
  Te  Te1  1  0.16  0.53  0.53  1.0
  Te  Te2  1  0.46  0.46  0.46  1.0
  Ir  Ir3  1  0.86  0.23  0.23  1.0

Mg Te Te Ir