data_[Mg2Ni4Te6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Ni  1.9100  1.3500  0.7400
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [7.1913]
_cell_length_b [3.9628]
_cell_length_c [9.9783]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.6963]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [MgNi2Te3]
_chemical_formula_sum '[Mg2 Ni4 Te6]'
_cell_volume [279.4173]
_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
[
  Mg  Mg0  2  0.2106  0.7500  0.1953  1
  Ni  Ni1  2  0.0406  0.7500  0.9252  1
  Ni  Ni2  2  0.3991  0.2500  0.3965  1
  Te  Te3  2  0.0396  0.2500  0.3402  1
  Te  Te4  2  0.2655  0.2500  0.9672  1
  Te  Te5  2  0.4042  0.2500  0.6498  1
]