data_Mg2InMo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.2
_cell_length_b   5.2
_cell_length_c   5.34
_cell_angle_alpha   99.02
_cell_angle_beta   99.02
_cell_angle_gamma   33.21
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2InMo
_chemical_formula_sum   'Mg2 In1 Mo1'
_cell_volume   77.93
_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
  Mg  Mg1  1  0.93  0.0  0.04  1.0
  Mg  Mg2  1  0.31  0.0  0.38  1.0
  In  In0  1  0.81  0.0  0.84  1.0
  Mo  Mo3  1  0.54  0.0  0.65  1.0

data_Mg2InMo
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.97
_cell_length_b   5.2
_cell_length_c   5.34
_cell_angle_alpha   99.02
_cell_angle_beta   90.0
_cell_angle_gamma   106.6
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2InMo
_chemical_formula_sum   'Mg2 In1 Mo1'
_cell_volume   77.93
_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
  Mg  Mg0  1  0.0  0.07  0.96  1.0
  Mg  Mg1  1  0.0  0.69  0.62  1.0
  In  In2  1  0.0  0.19  0.16  1.0
  Mo  Mo3  1  0.0  0.46  0.35  1.0

Mg Mg In Mo
Mg Mg In Mo 0 2 o o - 1 3 o o o 2 3 o o o 