data_CrAg2Mo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.77
_cell_length_b   4.77
_cell_length_c   4.77
_cell_angle_alpha   129.73
_cell_angle_beta   129.73
_cell_angle_gamma   73.84
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrAg2Mo
_chemical_formula_sum   'Cr1 Ag2 Mo1'
_cell_volume   62.46
_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  Cr2  1  0.0  0.0  0.0  1.0
  Ag  Ag0  1  0.0  0.0  0.81  1.0
  Ag  Ag1  1  0.0  0.02  0.91  1.0
  Mo  Mo3  1  0.02  0.0  0.91  1.0

data_CrAg2Mo
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.05
_cell_length_b   4.05
_cell_length_c   4.77
_cell_angle_alpha   115.14
_cell_angle_beta   115.14
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrAg2Mo
_chemical_formula_sum   'Cr1 Ag2 Mo1'
_cell_volume   62.46
_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
  Ag  Ag1  1  0.81  0.81  0.81  1.0
  Ag  Ag2  1  0.88  0.91  0.88  1.0
  Mo  Mo3  1  0.91  0.88  0.88  1.0

Cr Ag Ag Mo
Cr Ag Ag Mo 0 2 o o - 0 3 o o - 1 2 o o o 1 3 o o o 2 3 o o o 