data_[Mg1Mn3Te4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Mn  1.5500  1.4000  0.6483
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [P-4m2]
_cell_length_a [4.5448]
_cell_length_b [4.5448]
_cell_length_c [12.7850]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [115]
_chemical_formula_structural [MgMn3Te4]
_chemical_formula_sum '[Mg1 Mn3 Te4]'
_cell_volume [264.0777]
_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
[
  Mg  Mg0  1  0.0000  0.0000  0.0000  1.0
  Mn  Mn1  2  0.5000  0.5000  0.2502  1.0
  Mn  Mn2  1  0.0000  0.0000  0.5000  1.0
  Te  Te3  2  0.0000  0.5000  0.1298  1.0
  Te  Te4  2  0.0000  0.5000  0.6252  1.0
]