data_MnTe2Se
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.21
_cell_length_b   3.73
_cell_length_c   5.4
_cell_angle_alpha   90.0
_cell_angle_beta   112.45
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnTe2Se
_chemical_formula_sum   'Mn1 Te2 Se1'
_cell_volume   96.74
_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  Mn0  1  0.13  0.0  0.44  1.0
  Te  Te2  1  0.09  0.0  0.94  1.0
  Te  Te3  1  0.57  0.86  0.38  1.0
  Se  Se1  1  0.68  0.86  0.7  1.0

data_MnTe2Se
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.73
_cell_length_b   5.21
_cell_length_c   5.4
_cell_angle_alpha   112.45
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnTe2Se
_chemical_formula_sum   'Mn1 Te2 Se1'
_cell_volume   96.74
_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  Mn0  1  0.0  0.87  0.56  1.0
  Te  Te1  1  0.0  0.91  0.06  1.0
  Te  Te2  1  0.14  0.43  0.62  1.0
  Se  Se3  1  0.14  0.32  0.3  1.0

Mn Te Te Se