data_[Ba2Mg2Sn2Te6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Mg  1.3100  1.5000  0.8600
  Sn  1.9600  1.4500  0.8300
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [9.7641]
_cell_length_b [4.6140]
_cell_length_c [10.5015]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.9699]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [BaMgSnTe3]
_chemical_formula_sum '[Ba2 Mg2 Sn2 Te6]'
_cell_volume [462.8244]
_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
[
  Ba  Ba0  2  0.1783  0.2500  0.2120  1.0
  Mg  Mg1  2  0.0959  0.2500  0.6043  1.0
  Sn  Sn2  2  0.3474  0.7500  0.8699  1.0
  Te  Te3  2  0.1082  0.2500  0.8700  1.0
  Te  Te4  2  0.2025  0.7500  0.4986  1.0
  Te  Te5  2  0.4311  0.7500  0.1592  1.0
]