data_MnBe2As
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.4
_cell_length_b   4.4
_cell_length_c   4.4
_cell_angle_alpha   134.58
_cell_angle_beta   134.58
_cell_angle_gamma   66.19
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnBe2As
_chemical_formula_sum   'Mn1 Be2 As1'
_cell_volume   42.57
_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  Mn3  1  0.0  0.0  0.69  1.0
  Be  Be1  1  0.0  0.0  0.0  1.0
  Be  Be2  1  0.7  0.0  0.84  1.0
  As  As0  1  0.0  0.7  0.84  1.0

data_MnBe2As
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.4
_cell_length_b   3.4
_cell_length_c   4.4
_cell_angle_alpha   112.71
_cell_angle_beta   112.71
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnBe2As
_chemical_formula_sum   'Mn1 Be2 As1'
_cell_volume   42.57
_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  0.31  0.0  0.31  1.0
  Be  Be1  1  0.0  0.0  0.0  1.0
  Be  Be2  1  0.16  0.0  0.86  1.0
  As  As3  1  0.86  0.7  0.86  1.0

Mn Be Be As
Mn Be Be As 0 1 o o + 1 2 - o - 1 3 o - - 