data_[Na1Mg1Sn2Se4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Mg  1.3100  1.5000  0.8600
  Sn  1.9600  1.4500  0.8300
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.1340]
_cell_length_b [4.0753]
_cell_length_c [7.2616]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.6556]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [NaMg(SnSe2)2]
_chemical_formula_sum '[Na1 Mg1 Sn2 Se4]'
_cell_volume [200.0275]
_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
[
  Na  Na0  1  0.5000  0.5000  0.0000  1.0
  Mg  Mg1  1  0.5000  0.0000  0.5000  1.0
  Sn  Sn2  1  0.0000  0.0000  0.0000  1.0
  Sn  Sn3  1  0.0000  0.5000  0.5000  1.0
  Se  Se4  2  0.2538  0.0000  0.7314  1.0
  Se  Se5  2  0.2664  0.5000  0.2733  1.0
]