data_[Sc2Cu2As4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sc  1.3600  1.6000  0.8850
  Cu  1.9000  1.3500  0.8200
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [P4/nmm]
_cell_length_a [3.8012]
_cell_length_b [3.8012]
_cell_length_c [9.4350]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [129]
_chemical_formula_structural [ScCuAs2]
_chemical_formula_sum '[Sc2 Cu2 As4]'
_cell_volume [136.3258]
_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
[
  Sc  Sc0  2  0.0000  0.5000  0.2325  1
  Cu  Cu1  2  0.0000  0.0000  0.5000  1
  As  As2  2  0.0000  0.0000  0.0000  1
  As  As3  2  0.0000  0.5000  0.6732  1
]