[CIF]
data_Ca2MnMo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.14538633
_cell_length_b   3.78756357
_cell_length_c   7.55123350
_cell_angle_alpha   90.00000000
_cell_angle_beta   100.68829430
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca2MnMo
_chemical_formula_sum   'Ca2 Mn1 Mo1'
_cell_volume   88.39974174
_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  1.70006353  0.00000000  7.00110474  1
  Ca  Ca1  1  2.02349581  1.89378178  2.30568494  1
  Mn  Mn2  1  0.81555129  0.00000000  4.18979188  1
  Mo  Mo3  1  -0.17688492  1.89378178  5.05398088  1
[/CIF]
