data_CrMo2Se
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.87
_cell_length_b   4.87
_cell_length_c   4.36
_cell_angle_alpha   103.03
_cell_angle_beta   103.03
_cell_angle_gamma   37.11
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrMo2Se
_chemical_formula_sum   'Cr1 Mo2 Se1'
_cell_volume   60.61
_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
  Cr  Cr0  1  0.0  0.0  0.0  1.0
  Mo  Mo1  1  0.53  0.0  0.23  1.0
  Mo  Mo2  1  0.67  0.0  0.0  1.0
  Se  Se3  1  0.1  0.0  0.12  1.0

data_CrMo2Se
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.1
_cell_length_b   4.36
_cell_length_c   4.87
_cell_angle_alpha   103.03
_cell_angle_beta   108.56
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrMo2Se
_chemical_formula_sum   'Cr1 Mo2 Se1'
_cell_volume   60.61
_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
  Cr  Cr0  1  0.0  0.0  0.0  1.0
  Mo  Mo1  1  0.0  0.0  0.67  1.0
  Mo  Mo2  1  0.0  0.23  0.53  1.0
  Se  Se3  1  0.0  0.12  0.1  1.0

Cr Mo Mo Se