data_[Mn1Al1Te3]
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 [P1]
_cell_length_a [6.6200]
_cell_length_b [7.0517]
_cell_length_c [17.6530]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [117.8115]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [MnAlTe3]
_chemical_formula_sum '[Mn1 Al1 Te3]'
_cell_volume [728.8871]
_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  0.8588  0.2221  0.4929  1
  Al  Al1  1  0.4202  0.8083  0.4999  1
  Te  Te2  1  0.0756  0.5589  0.5803  1
  Te  Te3  1  0.4682  0.1417  0.4300  1
  Te  Te4  1  0.8209  0.8361  0.4970  1
]