data_[Cu4Te1P2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cu  1.9000  1.3500  0.8200
  Te  2.1000  1.4000  1.2933
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [5.4118]
_cell_length_b [4.5562]
_cell_length_c [18.6548]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [Cu4TeP2]
_chemical_formula_sum '[Cu4 Te1 P2]'
_cell_volume [459.9829]
_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  0.9010  0.2460  0.4982  1
  Cu  Cu1  1  0.2363  0.5000  0.5715  1
  Cu  Cu2  1  0.4335  0.0000  0.5126  1
  Te  Te3  1  0.4833  0.5000  0.4376  1
  P  P4  1  0.1022  0.0000  0.5889  1
  P  P5  1  0.9220  0.5000  0.3930  1
]