data_In2MoAs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.71
_cell_length_b   5.71
_cell_length_c   5.04
_cell_angle_alpha   104.9
_cell_angle_beta   104.9
_cell_angle_gamma   31.99
_symmetry_Int_Tables_number   1
_chemical_formula_structural   In2MoAs
_chemical_formula_sum   'In2 Mo1 As1'
_cell_volume   84.05
_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  In1  1  0.06  0.0  0.14  1.0
  In  In2  1  0.45  0.0  0.29  1.0
  Mo  Mo3  1  0.48  0.0  0.56  1.0
  As  As0  1  0.46  0.0  0.3  1.0

data_In2MoAs
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.15
_cell_length_b   5.04
_cell_length_c   5.71
_cell_angle_alpha   104.9
_cell_angle_beta   106.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   In2MoAs
_chemical_formula_sum   'In2 Mo1 As1'
_cell_volume   84.05
_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  0.0  0.14  0.06  1.0
  In  In1  1  0.0  0.29  0.45  1.0
  Mo  Mo2  1  0.0  0.56  0.48  1.0
  As  As3  1  0.0  0.3  0.46  1.0

In In Mo As