data_MnCo2Sn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.42
_cell_length_b   4.42
_cell_length_c   4.65
_cell_angle_alpha   103.01
_cell_angle_beta   103.01
_cell_angle_gamma   39.12
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnCo2Sn
_chemical_formula_sum   'Mn1 Co2 Sn1'
_cell_volume   55.53
_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
  Mn  Mn2  1  0.0  0.0  0.0  1.0
  Co  Co0  1  0.28  0.0  0.51  1.0
  Co  Co1  1  0.93  0.0  0.0  1.0
  Sn  Sn3  1  0.61  0.0  0.26  1.0

data_MnCo2Sn
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.96
_cell_length_b   4.42
_cell_length_c   4.65
_cell_angle_alpha   103.01
_cell_angle_beta   90.0
_cell_angle_gamma   109.56
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnCo2Sn
_chemical_formula_sum   'Mn1 Co2 Sn1'
_cell_volume   55.53
_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
  Mn  Mn0  1  0.0  0.0  0.0  1.0
  Co  Co1  1  0.0  0.07  1.0  1.0
  Co  Co2  1  0.0  0.72  0.49  1.0
  Sn  Sn3  1  0.0  0.39  0.74  1.0

Mn Co Co Sn
Mn Co Co Sn 0 2 - o o 0 1 o o o 0 3 - o o 1 2 - o o 1 3 o o o 2 3 o o o 