data_[Mn2In2Te6]
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 [P2_1/m]
_cell_length_a [7.1797]
_cell_length_b [4.1513]
_cell_length_c [11.0890]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.8796]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [MnInTe3]
_chemical_formula_sum '[Mn2 In2 Te6]'
_cell_volume [330.0940]
_cell_formula_units_Z [2]
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  2  0.0570  0.7500  0.1698  1.0
  In  In1  2  0.4974  0.2500  0.2504  1.0
  Te  Te2  2  0.1143  0.7500  0.7144  1.0
  Te  Te3  2  0.2238  0.2500  0.0454  1.0
  Te  Te4  2  0.3202  0.7500  0.3723  1.0
]