data_[In4As3P1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  In  1.7800  1.5500  0.9400
  As  2.1800  1.1500  0.6600
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [4.3527]
_cell_length_b [8.7327]
_cell_length_c [6.0731]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [In4As3P]
_chemical_formula_sum '[In4 As3 P1]'
_cell_volume [230.8421]
_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
[
  In  In0  2  0.0000  0.2556  0.0046  1.0
  In  In1  1  0.5000  0.0000  0.5017  1.0
  In  In2  1  0.5000  0.5000  0.4909  1.0
  As  As3  2  0.5000  0.2518  0.7496  1.0
  As  As4  1  0.0000  0.0000  0.2489  1.0
  P  P5  1  0.0000  0.5000  0.2500  1.0
]