data_SrCa2Mn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.96
_cell_length_b   4.96
_cell_length_c   4.86
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrCa2Mn
_chemical_formula_sum   'Sr1 Ca2 Mn1'
_cell_volume   119.58
_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  Sr3  1  0.48  0.48  0.0  1.0
  Ca  Ca0  1  0.48  0.0  0.43  1.0
  Ca  Ca1  1  0.0  0.48  0.43  1.0
  Mn  Mn2  1  0.0  0.0  0.0  1.0

data_SrCa2Mn
_symmetry_space_group_name_H-M   Cm
_cell_length_a   7.02
_cell_length_b   7.02
_cell_length_c   4.86
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   SrCa2Mn
_chemical_formula_sum   'Sr2 Ca4 Mn2'
_cell_volume   239.15
_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
  Sr  Sr0  2  0.48  0.0  0.0  1.0
  Ca  Ca1  4  0.24  0.24  0.43  1.0
  Mn  Mn2  2  0.0  0.0  0.0  1.0

Sr Ca Ca Mn
SrCa2Mn crystallizes in the monoclinic Cm space group. Sr(1) is bonded to eight equivalent Ca(1) and four equivalent Mn(1) atoms to form distorted SrCa8Mn4 cuboctahedra that share corners with twelve equivalent Sr(1)Ca8Mn4 cuboctahedra, edges with eight equivalent Mn(1)Sr4Ca8 cuboctahedra, faces with four equivalent Mn(1)Sr4Ca8 cuboctahedra, and faces with six equivalent Sr(1)Ca8Mn4 cuboctahedra. There are a spread of Sr(1)-Ca(1) bond distances ranging from 3.17-3.79 Å. There are a spread of Sr(1)-Mn(1) bond distances ranging from 3.37-3.64 Å. Ca(1) is bonded in a 12-coordinate geometry to four equivalent Sr(1), four equivalent Ca(1), and four equivalent Mn(1) atoms. There are a spread of Ca(1)-Ca(1) bond distances ranging from 3.37-3.64 Å. There are a spread of Ca(1)-Mn(1) bond distances ranging from 3.17-3.79 Å. Mn(1) is bonded to four equivalent Sr(1) and eight equivalent Ca(1) atoms to form MnSr4Ca8 cuboctahedra that share corners with twelve equivalent Mn(1)Sr4Ca8 cuboctahedra, edges with eight equivalent Sr(1)Ca8Mn4 cuboctahedra, faces with four equivalent Sr(1)Ca8Mn4 cuboctahedra, and faces with six equivalent Mn(1)Sr4Ca8 cuboctahedra.