data_MgScTe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.67
_cell_length_b   3.67
_cell_length_c   7.33
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   92.21
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgScTe2
_chemical_formula_sum   'Mg1 Sc1 Te2'
_cell_volume   98.6
_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  0.0  1.0
  Sc  Sc1  1  0.0  0.0  0.67  1.0
  Te  Te2  1  0.54  0.0  0.4  1.0
  Te  Te3  1  0.54  0.0  0.94  1.0

data_MgScTe2
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.67
_cell_length_b   3.67
_cell_length_c   7.33
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   MgScTe2
_chemical_formula_sum   'Mg1 Sc1 Te2'
_cell_volume   98.67
_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  0.0  1.0
  Sc  Sc1  1  0.0  0.0  0.67  1.0
  Te  Te2  1  0.54  0.0  0.4  1.0
  Te  Te3  1  0.54  0.0  0.94  1.0

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