data_MgTe2Se
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.73
_cell_length_b   6.73
_cell_length_c   6.73
_cell_angle_alpha   143.88
_cell_angle_beta   138.51
_cell_angle_gamma   56.16
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgTe2Se
_chemical_formula_sum   'Mg1 Te2 Se1'
_cell_volume   118.39
_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  0.14  1.0
  Te  Te2  1  0.0  0.0  0.82  1.0
  Te  Te3  1  0.09  0.0  0.98  1.0
  Se  Se1  1  0.0  0.39  0.83  1.0

data_MgTe2Se
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.18
_cell_length_b   4.77
_cell_length_c   6.73
_cell_angle_alpha   110.74
_cell_angle_beta   108.06
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgTe2Se
_chemical_formula_sum   'Mg1 Te2 Se1'
_cell_volume   118.39
_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  0.14  0.14  1.0
  Te  Te1  1  0.0  0.82  0.82  1.0
  Te  Te2  1  0.0  0.98  0.89  1.0
  Se  Se3  1  0.61  0.44  0.44  1.0

Mg Te Te Se