data_[Ga1Cu3P2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ga  1.8100  1.3000  0.7600
  Cu  1.9000  1.3500  0.8200
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [6.0994]
_cell_length_b [2.7154]
_cell_length_c [18.2999]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [GaCu3P2]
_chemical_formula_sum '[Ga1 Cu3 P2]'
_cell_volume [303.0835]
_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
[
  Ga  Ga0  1  0.5630  0.0000  0.5503  1
  Cu  Cu1  1  0.4369  0.0000  0.4145  1
  Cu  Cu2  1  0.7664  0.5000  0.4414  1
  Cu  Cu3  1  0.8719  0.5000  0.5948  1
  P  P4  1  0.0762  0.0000  0.4403  1
  P  P5  1  0.1644  0.0000  0.5585  1
]