data_[In2Ga2P2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  In  1.7800  1.5500  0.9400
  Ga  1.8100  1.3000  0.7600
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [3.7961]
_cell_length_b [5.6773]
_cell_length_c [5.9390]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.4960]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [InGaP]
_chemical_formula_sum '[In2 Ga2 P2]'
_cell_volume [123.9186]
_cell_formula_units_Z [2]
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
[
  In  In0  2  0.2444  0.7500  0.8890  1
  Ga  Ga1  2  0.5000  0.0000  0.5000  1
  P  P2  2  0.1019  0.2500  0.7598  1
]