data_[Cu3B2As3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cu  1.9000  1.3500  0.8200
  B  2.0400  0.8500  0.4100
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [4.0167]
_cell_length_b [19.6577]
_cell_length_c [4.5726]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.9293]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [Cu3B2As3]
_chemical_formula_sum '[Cu3 B2 As3]'
_cell_volume [351.8930]
_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
[
  Cu  Cu0  2  0.0242  0.4132  0.7796  1
  Cu  Cu1  1  0.0007  0.5000  0.2229  1
  B  B2  2  0.4410  0.4550  0.1034  1
  As  As3  2  0.8029  0.3815  0.2441  1
  As  As4  1  0.4709  0.5000  0.6772  1
]