data_[Cu1As2P1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cu  1.9000  1.3500  0.8200
  As  2.1800  1.1500  0.6600
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [2.6795]
_cell_length_b [3.5057]
_cell_length_c [7.3026]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.6374]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [CuAs2P]
_chemical_formula_sum '[Cu1 As2 P1]'
_cell_volume [68.1377]
_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  1  0.5000  0.5000  0.0000  1
  As  As1  2  0.4124  0.0000  0.2439  1
  P  P2  1  0.5000  0.5000  0.5000  1
]