data_MgMnTe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.01
_cell_length_b   5.28
_cell_length_c   4.61
_cell_angle_alpha   90.0
_cell_angle_beta   101.22
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgMnTe2
_chemical_formula_sum   'Mg1 Mn1 Te2'
_cell_volume   95.78
_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  0.63  0.0  0.38  1.0
  Mn  Mn1  1  0.77  0.64  0.06  1.0
  Te  Te2  1  0.56  0.0  0.46  1.0
  Te  Te3  1  0.72  0.64  0.87  1.0

data_MgMnTe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.01
_cell_length_b   4.61
_cell_length_c   5.28
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   101.22
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgMnTe2
_chemical_formula_sum   'Mg1 Mn1 Te2'
_cell_volume   95.78
_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  0.37  0.62  0.0  1.0
  Mn  Mn1  1  0.23  0.94  0.36  1.0
  Te  Te2  1  0.28  0.13  0.36  1.0
  Te  Te3  1  0.44  0.54  0.0  1.0

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