data_[Cu3B2P3]
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
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [3.1131]
_cell_length_b [5.4175]
_cell_length_c [20.3518]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [Cu3B2P3]
_chemical_formula_sum '[Cu3 B2 P3]'
_cell_volume [343.2319]
_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  0.0000  0.2324  0.5672  1
  Cu  Cu1  1  0.0000  0.0000  0.3656  1
  B  B2  2  0.5000  0.1583  0.4880  1
  P  P3  2  0.0000  0.2953  0.4476  1
  P  P4  1  0.5000  0.0000  0.6286  1
]