data_[Zr1In1Mo2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  In  1.7800  1.5500  0.9400
  Mo  2.1600  1.4500  0.7750
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [2.9568]
_cell_length_b [4.5003]
_cell_length_c [5.8329]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.4228]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [ZrInMo2]
_chemical_formula_sum '[Zr1 In1 Mo2]'
_cell_volume [75.1707]
_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
[
  Zr  Zr0  1  0.9665  0.0000  0.4847  1
  In  In1  1  0.5610  0.5000  0.7579  1
  Mo  Mo2  1  0.0482  0.0000  0.0288  1
  Mo  Mo3  1  0.4243  0.5000  0.2286  1
]