data_CrCoMo2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.93
_cell_length_b   4.93
_cell_length_c   4.93
_cell_angle_alpha   143.54
_cell_angle_beta   129.31
_cell_angle_gamma   64.04
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrCoMo2
_chemical_formula_sum   'Cr1 Co1 Mo2'
_cell_volume   54.48
_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  Cr1  1  0.0  0.0  0.33  1.0
  Co  Co0  1  0.0  0.11  0.04  1.0
  Mo  Mo2  1  0.0  0.11  0.12  1.0
  Mo  Mo3  1  0.0  0.0  0.05  1.0

data_CrCoMo2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.09
_cell_length_b   4.22
_cell_length_c   4.93
_cell_angle_alpha   115.35
_cell_angle_beta   108.23
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrCoMo2
_chemical_formula_sum   'Cr1 Co1 Mo2'
_cell_volume   54.48
_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  0.33  0.33  1.0
  Co  Co1  1  0.89  0.93  0.93  1.0
  Mo  Mo2  1  0.0  0.05  0.05  1.0
  Mo  Mo3  1  0.89  0.01  0.01  1.0

Cr Co Mo Mo
Cr Co Mo Mo 0 2 o o o 0 3 o o o 1 2 o o o 2 3 o o o 