data_SrY2Mo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.77
_cell_length_b   5.77
_cell_length_c   3.49
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   106.18
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrY2Mo
_chemical_formula_sum   'Sr1 Y2 Mo1'
_cell_volume   111.33
_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
  Sr  Sr1  1  0.0  0.0  0.0  1.0
  Y  Y2  1  0.73  0.31  0.74  1.0
  Y  Y3  1  0.73  0.69  0.74  1.0
  Mo  Mo0  1  0.46  0.0  0.0  1.0

data_SrY2Mo
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.49
_cell_length_b   5.77
_cell_length_c   5.77
_cell_angle_alpha   106.18
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrY2Mo
_chemical_formula_sum   'Sr1 Y2 Mo1'
_cell_volume   111.33
_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
  Sr  Sr0  1  0.0  0.0  0.0  1.0
  Y  Y1  1  0.74  0.73  0.31  1.0
  Y  Y2  1  0.74  0.73  0.69  1.0
  Mo  Mo3  1  0.0  0.46  0.0  1.0

Sr Y Y Mo