data_[Mn1Al1Te2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mn  1.5500  1.4000  0.6483
  Al  1.6100  1.2500  0.6750
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [5.9411]
_cell_length_b [3.2236]
_cell_length_c [5.9783]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.4012]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [MnAlTe2]
_chemical_formula_sum '[Mn1 Al1 Te2]'
_cell_volume [113.9878]
_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  0.3290  0.0000  0.1736  1
  Al  Al1  1  0.5633  0.5000  0.9280  1
  Te  Te2  2  0.0409  0.5000  0.9400  1
]