data_[Mn5Te9]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mn  1.5500  1.4000  0.6483
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [P6mm]
_cell_length_a [9.1110]
_cell_length_b [9.1110]
_cell_length_c [18.6895]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [183]
_chemical_formula_structural [Mn5Te9]
_chemical_formula_sum '[Mn5 Te9]'
_cell_volume [1343.5670]
_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  3  0.0000  0.5000  0.5143  1
  Mn  Mn1  2  0.3333  0.6667  0.4399  1
  Te  Te2  6  0.2080  0.4159  0.5744  1
  Te  Te3  3  0.0000  0.5000  0.3770  1
]