data_MgMnTe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.25
_cell_length_b   3.25
_cell_length_c   8.54
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   91.3
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgMnTe2
_chemical_formula_sum   'Mg1 Mn1 Te2'
_cell_volume   90.45
_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  0.89  1.0
  Mn  Mn1  1  0.28  0.0  0.16  1.0
  Te  Te2  1  0.0  0.0  0.89  1.0
  Te  Te3  1  0.28  0.0  0.88  1.0

data_MgMnTe2
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.25
_cell_length_b   3.25
_cell_length_c   8.54
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   MgMnTe2
_chemical_formula_sum   'Mg1 Mn1 Te2'
_cell_volume   90.47
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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  0.89  1.0
  Mn  Mn1  1  0.28  0.0  0.16  1.0
  Te  Te2  1  0.0  0.0  0.89  1.0
  Te  Te3  1  0.28  0.0  0.88  1.0

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