data_[Ti4Cu2As2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ti  1.5400  1.4000  0.8517
  Cu  1.9000  1.3500  0.8200
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [5.0843]
_cell_length_b [3.6451]
_cell_length_c [7.1153]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.9121]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Ti2CuAs]
_chemical_formula_sum '[Ti4 Cu2 As2]'
_cell_volume [123.9830]
_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
[
  Ti  Ti0  2  0.2031  0.2500  0.4272  1
  Ti  Ti1  2  0.2051  0.2500  0.9271  1
  Cu  Cu2  2  0.3318  0.7500  0.7076  1
  As  As3  2  0.3384  0.7500  0.2088  1
]