data_[Ga3Cu2P1]
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 [P-4m2]
_cell_length_a [4.1222]
_cell_length_b [4.1222]
_cell_length_c [5.7643]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [115]
_chemical_formula_structural [Ga3Cu2P]
_chemical_formula_sum '[Ga3 Cu2 P1]'
_cell_volume [97.9507]
_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  0.0000  0.0000  0.0000  1
  Ga  Ga1  1  0.0000  0.0000  0.5000  1
  Ga  Ga2  1  0.5000  0.5000  0.5000  1
  Cu  Cu3  2  0.0000  0.5000  0.7600  1
  P  P4  1  0.5000  0.5000  0.0000  1
]