data_Sr2TeMo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.37
_cell_length_b   6.67
_cell_length_c   6.67
_cell_angle_alpha   42.25
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2TeMo
_chemical_formula_sum   'Sr2 Te1 Mo1'
_cell_volume   130.7
_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
  Sr  Sr1  1  0.18  0.0  0.24  1.0
  Sr  Sr2  1  0.0  0.0  0.41  1.0
  Te  Te3  1  0.18  0.0  0.63  1.0
  Mo  Mo0  1  0.0  0.0  0.93  1.0

data_Sr2TeMo
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.37
_cell_length_b   4.81
_cell_length_c   6.67
_cell_angle_alpha   111.12
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2TeMo
_chemical_formula_sum   'Sr2 Te1 Mo1'
_cell_volume   130.7
_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
  Sr  Sr0  1  0.0  0.41  0.41  1.0
  Sr  Sr1  1  0.82  0.24  0.24  1.0
  Te  Te2  1  0.82  0.63  0.63  1.0
  Mo  Mo3  1  0.0  0.93  0.93  1.0

Sr Sr Te Mo