data_Sr2CaMo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.83
_cell_length_b   5.08
_cell_length_c   7.62
_cell_angle_alpha   90.0
_cell_angle_beta   98.67
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2CaMo
_chemical_formula_sum   'Sr2 Ca1 Mo1'
_cell_volume   146.48
_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
  Sr  Sr2  1  0.81  0.54  0.4  1.0
  Sr  Sr3  1  0.87  0.54  0.13  1.0
  Ca  Ca0  1  0.0  0.0  0.0  1.0
  Mo  Mo1  1  0.43  0.0  0.76  1.0

data_Sr2CaMo
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.83
_cell_length_b   5.08
_cell_length_c   7.62
_cell_angle_alpha   90.0
_cell_angle_beta   98.67
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2CaMo
_chemical_formula_sum   'Sr2 Ca1 Mo1'
_cell_volume   146.48
_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
  Sr  Sr0  1  0.81  0.54  0.4  1.0
  Sr  Sr1  1  0.87  0.54  0.13  1.0
  Ca  Ca2  1  0.0  0.0  0.0  1.0
  Mo  Mo3  1  0.43  0.0  0.76  1.0

Sr Sr Ca Mo
Sr2CaMo crystallizes in the triclinic P1 space group. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 3-coordinate geometry to one Sr(2) and two equivalent Mo(1) atoms. The Sr(1)-Sr(2) bond length is 2.13 Å. There is one shorter (4.07 Å) and one longer (4.08 Å) Sr(1)-Mo(1) bond length. In the second Sr site, Sr(2) is bonded in a 3-coordinate geometry to one Sr(1) and two equivalent Ca(1) atoms. There is one shorter (2.61 Å) and one longer (2.98 Å) Sr(2)-Ca(1) bond length. Ca(1) is bonded in a 4-coordinate geometry to two equivalent Sr(2) and two equivalent Mo(1) atoms. There is one shorter (2.60 Å) and one longer (2.62 Å) Ca(1)-Mo(1) bond length. Mo(1) is bonded in a distorted L-shaped geometry to two equivalent Sr(1) and two equivalent Ca(1) atoms.