data_BaMgTe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.46
_cell_length_b   4.13
_cell_length_c   8.0
_cell_angle_alpha   90.0
_cell_angle_beta   99.3
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaMgTe2
_chemical_formula_sum   'Ba1 Mg1 Te2'
_cell_volume   145.48
_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
  Ba  Ba0  1  0.58  0.0  0.95  1.0
  Mg  Mg1  1  0.0  0.0  0.0  1.0
  Te  Te2  1  0.8  0.06  0.91  1.0
  Te  Te3  1  0.37  0.06  0.99  1.0

data_BaMgTe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.13
_cell_length_b   4.46
_cell_length_c   8.0
_cell_angle_alpha   99.3
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaMgTe2
_chemical_formula_sum   'Ba1 Mg1 Te2'
_cell_volume   145.48
_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
  Ba  Ba0  1  0.0  0.42  0.05  1.0
  Mg  Mg1  1  0.0  0.0  0.0  1.0
  Te  Te2  1  0.94  0.2  0.09  1.0
  Te  Te3  1  0.94  0.63  0.01  1.0

Ba Mg Te Te