data_[Mg2Ni2Te4]
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 [C2/m]
_cell_length_a [8.8409]
_cell_length_b [3.9001]
_cell_length_c [5.8142]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.9871]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [MgNiTe2]
_chemical_formula_sum '[Mg2 Ni2 Te4]'
_cell_volume [192.7214]
_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  0.0000  0.5000  0.5000  1
  Ni  Ni1  2  0.0000  0.5000  0.0000  1
  Te  Te2  4  0.1485  0.0000  0.2367  1
]