data_SrMo2Se
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.75
_cell_length_b   5.75
_cell_length_c   5.75
_cell_angle_alpha   145.86
_cell_angle_beta   121.16
_cell_angle_gamma   69.82
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrMo2Se
_chemical_formula_sum   'Sr1 Mo2 Se1'
_cell_volume   90.11
_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  Sr3  1  0.0  0.83  0.32  1.0
  Mo  Mo0  1  0.0  0.0  0.49  1.0
  Mo  Mo1  1  0.69  0.0  0.26  1.0
  Se  Se2  1  0.0  0.0  0.37  1.0

data_SrMo2Se
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.38
_cell_length_b   5.65
_cell_length_c   5.75
_cell_angle_alpha   119.42
_cell_angle_beta   107.07
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrMo2Se
_chemical_formula_sum   'Sr1 Mo2 Se1'
_cell_volume   90.11
_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  0.68  0.51  0.51  1.0
  Mo  Mo1  1  0.43  0.74  0.43  1.0
  Mo  Mo2  1  0.51  0.51  0.51  1.0
  Se  Se3  1  0.63  0.63  0.63  1.0

Sr Mo Mo Se