data_CaMn2Sn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.06
_cell_length_b   5.06
_cell_length_c   5.68
_cell_angle_alpha   97.69
_cell_angle_beta   97.69
_cell_angle_gamma   36.28
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaMn2Sn
_chemical_formula_sum   'Ca1 Mn2 Sn1'
_cell_volume   85.13
_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  0.09  0.0  0.73  1.0
  Mn  Mn2  1  0.72  0.0  0.9  1.0
  Sn  Sn3  1  0.4  0.0  0.81  1.0

data_CaMn2Sn
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.15
_cell_length_b   5.06
_cell_length_c   5.68
_cell_angle_alpha   97.69
_cell_angle_beta   90.0
_cell_angle_gamma   108.14
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaMn2Sn
_chemical_formula_sum   'Ca1 Mn2 Sn1'
_cell_volume   85.13
_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  0.0  0.28  0.1  1.0
  Mn  Mn2  1  0.0  0.91  0.27  1.0
  Sn  Sn3  1  0.0  0.6  0.19  1.0

Ca Mn Mn Sn