data_[Na2Mg1Cu3As4]
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
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [P-4m2]
_cell_length_a [4.1103]
_cell_length_b [4.1103]
_cell_length_c [10.8452]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [115]
_chemical_formula_structural [Na2MgCu3As4]
_chemical_formula_sum '[Na2 Mg1 Cu3 As4]'
_cell_volume [183.2217]
_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  2  0.0000  0.5000  0.7489  1.0
  Mg  Mg1  1  0.5000  0.5000  0.5000  1.0
  Cu  Cu2  2  0.0000  0.5000  0.1346  1.0
  Cu  Cu3  1  0.0000  0.0000  0.5000  1.0
  As  As4  2  0.0000  0.5000  0.3549  1.0
  As  As5  1  0.0000  0.0000  0.0000  1.0
  As  As6  1  0.5000  0.5000  0.0000  1.0
]