data_[Mn1Ge1Te4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mn  1.5500  1.4000  0.6483
  Ge  2.0100  1.2500  0.7700
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [6.7471]
_cell_length_b [3.7700]
_cell_length_c [7.0320]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.6701]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [MnGeTe4]
_chemical_formula_sum '[Mn1 Ge1 Te4]'
_cell_volume [167.3585]
_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  0.5000  0.0000  0.5000  1
  Ge  Ge1  1  0.5000  0.5000  0.0000  1
  Te  Te2  2  0.2446  0.0000  0.7129  1
  Te  Te3  2  0.2574  0.5000  0.2595  1
]