data_ScCoMo2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.23
_cell_length_b   5.23
_cell_length_c   2.76
_cell_angle_alpha   99.16
_cell_angle_beta   99.16
_cell_angle_gamma   120.11
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScCoMo2
_chemical_formula_sum   'Sc1 Co1 Mo2'
_cell_volume   61.75
_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
  Sc  Sc3  1  0.0  0.0  0.0  1.0
  Co  Co0  1  0.61  0.0  0.0  1.0
  Mo  Mo1  1  0.86  0.74  0.31  1.0
  Mo  Mo2  1  0.86  0.26  0.31  1.0

data_ScCoMo2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.76
_cell_length_b   5.06
_cell_length_c   5.23
_cell_angle_alpha   115.31
_cell_angle_beta   99.16
_cell_angle_gamma   102.48
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScCoMo2
_chemical_formula_sum   'Sc1 Co1 Mo2'
_cell_volume   61.75
_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
  Sc  Sc0  1  0.0  0.0  0.0  1.0
  Co  Co1  1  0.0  0.0  0.61  1.0
  Mo  Mo2  1  0.04  0.74  0.6  1.0
  Mo  Mo3  1  0.57  0.26  0.13  1.0

Sc Co Mo Mo