data_HfMn2Te
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.11
_cell_length_b   5.11
_cell_length_c   4.35
_cell_angle_alpha   112.03
_cell_angle_beta   112.03
_cell_angle_gamma   40.65
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfMn2Te
_chemical_formula_sum   'Hf1 Mn2 Te1'
_cell_volume   67.79
_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
  Hf  Hf0  1  0.11  0.0  0.06  1.0
  Mn  Mn1  1  0.14  0.0  0.01  1.0
  Mn  Mn2  1  0.66  0.0  0.02  1.0
  Te  Te3  1  0.86  0.0  0.88  1.0

data_HfMn2Te
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.55
_cell_length_b   4.35
_cell_length_c   5.11
_cell_angle_alpha   112.03
_cell_angle_beta   110.33
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfMn2Te
_chemical_formula_sum   'Hf1 Mn2 Te1'
_cell_volume   67.79
_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
  Hf  Hf0  1  0.0  0.06  0.11  1.0
  Mn  Mn1  1  0.0  0.01  0.14  1.0
  Mn  Mn2  1  0.0  0.02  0.66  1.0
  Te  Te3  1  0.0  0.88  0.86  1.0

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