data_[In2As4P2]
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 [C2/m]
_cell_length_a [5.8283]
_cell_length_b [9.9054]
_cell_length_c [2.8726]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.0108]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [InAs2P]
_chemical_formula_sum '[In2 As4 P2]'
_cell_volume [157.7147]
_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  0.0000  0.5000  0.5000  1
  As  As1  4  0.2500  0.2500  0.0000  1
  P  P2  2  0.0000  0.0000  0.5000  1
]