data_[Na2Mg2Cu2S4]
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
  Cu  1.9000  1.3500  0.8200
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2/c]
_cell_length_a [6.4333]
_cell_length_b [5.1692]
_cell_length_c [6.6704]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.1024]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [13]
_chemical_formula_structural [NaMgCuS2]
_chemical_formula_sum '[Na2 Mg2 Cu2 S4]'
_cell_volume [219.0291]
_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
[
  Na  Na0  2  0.5000  0.1381  0.7500  1.0
  Mg  Mg1  2  0.0000  0.4956  0.2500  1.0
  Cu  Cu2  2  0.0000  0.0000  0.0000  1.0
  S  S3  4  0.2409  0.2901  0.0351  1.0
]