data_SrCa2Mn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.01
_cell_length_b   7.01
_cell_length_c   7.01
_cell_angle_alpha   147.21
_cell_angle_beta   130.11
_cell_angle_gamma   60.99
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrCa2Mn
_chemical_formula_sum   'Sr1 Ca2 Mn1'
_cell_volume   141.19
_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  0.98  0.0  0.52  1.0
  Ca  Ca0  1  0.0  0.0  0.07  1.0
  Ca  Ca1  1  0.0  0.96  0.58  1.0
  Mn  Mn2  1  0.0  0.0  0.99  1.0

data_SrCa2Mn
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.96
_cell_length_b   5.91
_cell_length_c   7.01
_cell_angle_alpha   114.95
_cell_angle_beta   106.39
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrCa2Mn
_chemical_formula_sum   'Sr1 Ca2 Mn1'
_cell_volume   141.19
_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  0.46  0.48  0.46  1.0
  Ca  Ca1  1  0.42  0.38  0.38  1.0
  Ca  Ca2  1  0.93  0.93  0.93  1.0
  Mn  Mn3  1  0.01  0.01  0.01  1.0

Sr Ca Ca Mn