data_CaCrMo2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.13
_cell_length_b   9.13
_cell_length_c   9.13
_cell_angle_alpha   19.05
_cell_angle_beta   19.05
_cell_angle_gamma   19.05
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaCrMo2
_chemical_formula_sum   'Ca1 Cr1 Mo2'
_cell_volume   70.91
_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
  Ca  Ca0  1  0.0  0.0  0.0  1.0
  Cr  Cr1  1  0.0  0.0  0.45  1.0
  Mo  Mo2  1  0.0  0.0  0.61  1.0
  Mo  Mo3  1  0.0  0.0  0.28  1.0

data_CaCrMo2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.23
_cell_length_b   3.02
_cell_length_c   9.13
_cell_angle_alpha   90.0
_cell_angle_beta   101.01
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   CaCrMo2
_chemical_formula_sum   'Ca2 Cr2 Mo4'
_cell_volume   141.81
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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
  Ca  Ca0  2  0.0  0.0  0.0  1.0
  Cr  Cr1  2  0.0  0.0  0.55  1.0
  Mo  Mo2  2  -0.0  0.0  0.39  1.0
  Mo  Mo3  2  -0.0  0.0  0.72  1.0

Ca Cr Mo Mo