data_CaMn2Sb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.18
_cell_length_b   4.78
_cell_length_c   5.28
_cell_angle_alpha   90.0
_cell_angle_beta   91.24
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaMn2Sb
_chemical_formula_sum   'Ca1 Mn2 Sb1'
_cell_volume   80.33
_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  0.0  0.0  0.0  1.0
  Mn  Mn1  1  0.94  0.39  0.71  1.0
  Mn  Mn2  1  0.13  0.39  0.56  1.0
  Sb  Sb3  1  0.54  0.0  0.64  1.0

data_CaMn2Sb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.18
_cell_length_b   4.78
_cell_length_c   5.28
_cell_angle_alpha   90.0
_cell_angle_beta   91.24
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaMn2Sb
_chemical_formula_sum   'Ca1 Mn2 Sb1'
_cell_volume   80.33
_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  0.0  0.0  0.0  1.0
  Mn  Mn1  1  0.13  0.39  0.56  1.0
  Mn  Mn2  1  0.94  0.39  0.71  1.0
  Sb  Sb3  1  0.54  0.0  0.64  1.0

Ca Mn Mn Sb
Ca Mn Mn Sb 0 3 - o - 0 3 o o - 0 1 - o - 1 2 + o o 1 3 + o o 1 3 o o o 2 3 o o o 2 3 - o o 