data_MnTeIr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.91
_cell_length_b   2.91
_cell_length_c   7.38
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnTeIr2
_chemical_formula_sum   'Mn1 Te1 Ir2'
_cell_volume   62.7
_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
  Mn  Mn2  1  0.0  0.0  0.51  1.0
  Te  Te3  1  0.46  0.46  0.45  1.0
  Ir  Ir0  1  0.0  0.0  0.1  1.0
  Ir  Ir1  1  0.46  0.46  0.01  1.0

data_MnTeIr2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.12
_cell_length_b   4.12
_cell_length_c   7.38
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   MnTeIr2
_chemical_formula_sum   'Mn2 Te2 Ir4'
_cell_volume   125.39
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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
  Mn  Mn0  2  0.0  0.0  0.51  1.0
  Te  Te1  2  0.46  0.0  0.45  1.0
  Ir  Ir2  2  0.0  0.0  0.1  1.0
  Ir  Ir3  2  0.46  0.0  0.01  1.0

Mn Te Ir Ir
Mn Te Ir Ir 0 1 - - o 0 1 - o o 0 1 o - o 0 1 o o o 2 3 - - o 2 3 - o o 2 3 o - o 2 3 o o o 