data_[Ba2Mg2Cu2As4]
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
  Cu  1.9000  1.3500  0.8200
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [I-4m2]
_cell_length_a [4.2593]
_cell_length_b [4.2593]
_cell_length_c [13.0335]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [119]
_chemical_formula_structural [BaMgCuAs2]
_chemical_formula_sum '[Ba2 Mg2 Cu2 As4]'
_cell_volume [236.4437]
_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  0.0000  0.0000  0.0000  1.0
  Mg  Mg1  2  0.0000  0.5000  0.7500  1.0
  Cu  Cu2  2  0.0000  0.5000  0.2500  1.0
  As  As3  4  0.0000  0.0000  0.3660  1.0
]