data_LaMnZn2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.06
_cell_length_b   5.06
_cell_length_c   5.06
_cell_angle_alpha   131.17
_cell_angle_beta   119.04
_cell_angle_gamma   81.74
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaMnZn2
_chemical_formula_sum   'La1 Mn1 Zn2'
_cell_volume   82.23
_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
  La  La0  1  0.0  0.57  0.04  1.0
  Mn  Mn1  1  0.0  0.0  0.67  1.0
  Zn  Zn2  1  0.0  0.57  0.71  1.0
  Zn  Zn3  1  0.0  0.0  0.06  1.0

data_LaMnZn2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.18
_cell_length_b   5.06
_cell_length_c   5.06
_cell_angle_alpha   60.96
_cell_angle_beta   65.58
_cell_angle_gamma   65.58
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaMnZn2
_chemical_formula_sum   'La1 Mn1 Zn2'
_cell_volume   82.23
_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
  La  La0  1  0.04  0.0  0.53  1.0
  Mn  Mn1  1  0.67  0.0  0.33  1.0
  Zn  Zn2  1  0.06  0.0  0.94  1.0
  Zn  Zn3  1  0.71  0.0  0.86  1.0

La Mn Zn Zn