data_[Mg4Be2Te2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Be  1.5700  1.0500  0.5900
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [9.0765]
_cell_length_b [3.6202]
_cell_length_c [6.0184]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.4867]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Mg2BeTe]
_chemical_formula_sum '[Mg4 Be2 Te2]'
_cell_volume [181.3743]
_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  0.2477  0.5000  0.2062  1
  Mg  Mg1  2  0.4465  0.5000  0.8914  1
  Be  Be2  2  0.2188  0.0000  0.8487  1
  Te  Te3  2  0.0870  0.5000  0.5537  1
]