[CIF]
data_CaTiMo4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.39349869
_cell_length_b   5.39349869
_cell_length_c   5.39349869
_cell_angle_alpha   60.00000000
_cell_angle_beta   60.00000000
_cell_angle_gamma   60.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaTiMo4
_chemical_formula_sum   'Ca1 Ti1 Mo4'
_cell_volume   110.94219025
_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  0.00000000  0.00000000  0.00000000  1
  Mo  Mo1  1  4.76815074  4.76815074  2.85940826  1
  Mo  Mo2  1  4.76815074  2.85940826  4.76815074  1
  Mo  Mo3  1  2.85940826  4.76815074  4.76815074  1
  Mo  Mo4  1  2.85940826  2.85940826  2.85940826  1
  Ti  Ti5  1  5.72066925  5.72066925  5.72066925  1
[/CIF]
