data_[In1Mo1As2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  In  1.7800  1.5500  0.9400
  Mo  2.1600  1.4500  0.7750
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [5.1091]
_cell_length_b [2.9727]
_cell_length_c [5.1521]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.8627]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [InMoAs2]
_chemical_formula_sum '[In1 Mo1 As2]'
_cell_volume [74.4758]
_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  1  0.0000  0.5000  0.5000  1
  Mo  Mo1  1  0.5000  0.0000  0.5000  1
  As  As2  1  0.0000  0.0000  0.0000  1
  As  As3  1  0.5000  0.5000  0.0000  1
]