data_MnBe2Tc
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.94
_cell_length_b   7.94
_cell_length_c   7.94
_cell_angle_alpha   18.58
_cell_angle_beta   18.58
_cell_angle_gamma   18.58
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnBe2Tc
_chemical_formula_sum   'Mn1 Be2 Tc1'
_cell_volume   44.44
_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
  Be  Be0  1  0.0  0.0  0.94  1.0
  Be  Be1  1  0.0  0.0  0.47  1.0
  Tc  Tc3  1  0.0  0.0  0.71  1.0

data_MnBe2Tc
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.44
_cell_length_b   2.56
_cell_length_c   7.94
_cell_angle_alpha   90.0
_cell_angle_beta   100.74
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   MnBe2Tc
_chemical_formula_sum   'Mn2 Be4 Tc2'
_cell_volume   88.87
_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
  Mn  Mn0  2  0.0  0.0  0.0  1.0
  Be  Be1  2  0.0  0.0  0.06  1.0
  Be  Be2  2  0.0  0.0  0.53  1.0
  Tc  Tc3  2  0.0  0.0  0.29  1.0

Mn Be Be Tc
Mn Be Be Tc 0 1 o o - 1 3 o o o 2 3 o o o 