data_[Mn8In4Te16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mn  1.5500  1.4000  0.6483
  In  1.7800  1.5500  0.9400
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [17.0945]
_cell_length_b [3.9183]
_cell_length_c [12.6105]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [Mn2InTe4]
_chemical_formula_sum '[Mn8 In4 Te16]'
_cell_volume [844.6709]
_cell_formula_units_Z [4]
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  4  0.1014  0.7500  0.9783  1
  Mn  Mn1  4  0.2173  0.7500  0.4247  1
  In  In2  4  0.0501  0.7500  0.6613  1
  Te  Te3  4  0.0187  0.2500  0.8739  1
  Te  Te4  4  0.1137  0.2500  0.4711  1
  Te  Te5  4  0.1782  0.2500  0.0847  1
  Te  Te6  4  0.2090  0.7500  0.8142  1
]