data_SrMnTe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.81
_cell_length_b   7.81
_cell_length_c   7.81
_cell_angle_alpha   32.47
_cell_angle_beta   32.47
_cell_angle_gamma   32.47
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrMnTe2
_chemical_formula_sum   'Sr1 Mn1 Te2'
_cell_volume   121.92
_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
  Sr  Sr1  1  0.0  0.0  0.08  1.0
  Mn  Mn0  1  0.0  0.0  0.0  1.0
  Te  Te2  1  0.0  0.0  0.33  1.0
  Te  Te3  1  0.0  0.0  0.84  1.0

data_SrMnTe2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   7.56
_cell_length_b   4.36
_cell_length_c   7.81
_cell_angle_alpha   90.0
_cell_angle_beta   108.83
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   SrMnTe2
_chemical_formula_sum   'Sr2 Mn2 Te4'
_cell_volume   243.83
_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
  Sr  Sr0  2  0.0  0.0  0.92  1.0
  Mn  Mn1  2  0.0  0.0  0.0  1.0
  Te  Te2  2  0.0  0.0  0.16  1.0
  Te  Te3  2  0.0  0.0  0.67  1.0

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